V38
[(1R,5S)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-METHYL-8-AZONIABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE
Find entries where: V38
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | [(1R,5S)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-METHYL-8-AZONIABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE |
Identifiers | [(1R,5S)-8-[(2R)-2-hydroxy-2-phenyl-ethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate |
Formula | C23 H28 N O3 |
Molecular Weight | 366.473 |
Type | NON-POLYMER |
Isomeric SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)c3ccccc3)C[C@@H](c4ccccc4)O |
InChI | InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22-,24+/m0/s1 |
InChIKey | UOBMQJGLFUHOEX-KVZQYWQLSA-N |
Chemical Details | |
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Formal Charge | 1 |
Atom Count | 55 |
Chiral Atom Count | 3 |
Bond Count | 58 |
Aromatic Bond Count | 12 |