[8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate

Systemtic Name: [8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate Openeye Name: [8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate CAS Name: benzoic acid [8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate Traditional Name: benzoic acid [8-(4-cyclohexylbenzyl)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C29H38NO2+ MolecularWeight: 432.61752

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C29H38NO2/c1-2-30(21-22-13-15-24(16-14-22)23-9-5-3-6-10-23)26-17-18-27(30)20-28(19-26)32-29(31)25-11-7-4-8-12-25/h4,7-8,11-16,23,26-28H,2-3,5-6,9-10,17-21H2,1H3/q+1