[(1R,2S)-2-(4-phenylpiperidin-1-ium-1-yl)cyclohexyl] benzoate

Systemtic Name: [(1R,2S)-2-(4-phenylpiperidin-1-ium-1-yl)cyclohexyl] benzoate Openeye Name: [(1R,2S)-2-(4-phenylpiperidin-1-ium-1-yl)cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S)-2-(4-phenyl-1-piperidin-1-iumyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(4-phenylpiperidin-1-ium-1-yl)cyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-(4-phenylpiperidin-1-ium-1-yl)cyclohexyl] ester Formula: C24H30NO2+ MolecularWeight: 364.5005

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[NH+]2CCC(CC2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[C@H]([C@H](C1)[NH+]2CCC(CC2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H29NO2/c26-24(21-11-5-2-6-12-21)27-23-14-8-7-13-22(23)25-17-15-20(16-18-25)19-9-3-1-4-10-19/h1-6,9-12,20,22-23H,7-8,13-18H2/p+1/t22-,23+/m0/s1