E00

benzyltrimethylammonium

Created:	2021-12-01
Last modified:	2022-03-02

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1 entries where E00 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of E00

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Chemical Component Summary
Name	benzyltrimethylammonium
Systematic Name (OpenEye OEToolkits)	trimethyl-(phenylmethyl)azanium
Formula	C₁₀ H₁₆ N
Molecular Weight	150.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C[N+](C)(C)Cc1ccccc1
SMILES	CACTVS	3.385	C[N+](C)(C)Cc1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	C[N+](C)(C)Cc1ccccc1
Canonical SMILES	CACTVS	3.385	C[N+](C)(C)Cc1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[N+](C)(C)Cc1ccccc1
InChI	InChI	1.03	InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1
InChIKey	InChI	1.03	YOUGRGFIHBUKRS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5964
ChEMBL	CHEMBL1616857
CCDC/CSD	COBVUN, DANKIO, GOKZIS, FEYGAR, ATUROW, CEBNUT, EFICUT02, EFICUT03, FOHBIN, GOLSOP, EFICUT, CINLEQ, CETVOP01, GEFPOW, DANKIO01, EFICUT01, FUTZAX, DANKUA, GOFXIK, GOVSOZ, BAHDIX, DUFHER10, GANPAO, GEBBEU, FATRAT, FATRAT10, FESDAI, FABZUD10, FITZEN, BAJCOE10, AYOJUU, CETVOP, EWIBUI, GUDLAS, BALSAJ, FARTAT, FUJCEU, BZAPXU10, FIRMOJ, CUZNOA, BEGJIG, DABLOH, CAHXIS, EYIQOU, EJIVIF, CEBNUT01, AYIREI
COD	4003434, 8101830, 2006176, 2205504, 2011794

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.