[9-[(4-cyclohexylphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] benzoate

Systemtic Name: [9-[(4-cyclohexylphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] benzoate Openeye Name: [9-[(4-cyclohexylphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] benzoate CAS Name: benzoic acid [9-[(4-cyclohexylphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] ester IUPAC Name: [9-[(4-cyclohexylphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] benzoate Traditional Name: benzoic acid [9-(4-cyclohexylbenzyl)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] ester Formula: C29H38NO2+ MolecularWeight: 432.61752

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

C[N+]1(C2CCCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C29H38NO2/c1-30(21-22-15-17-24(18-16-22)23-9-4-2-5-10-23)26-13-8-14-27(30)20-28(19-26)32-29(31)25-11-6-3-7-12-25/h3,6-7,11-12,15-18,23,26-28H,2,4-5,8-10,13-14,19-21H2,1H3/q+1