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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)CC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)CC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C29H38NO2/c1-21-8-12-25(13-9-21)29(31)32-28-18-26-16-17-27(19-28)30(26,2)20-22-10-14-24(15-11-22)23-6-4-3-5-7-23/h8-15,23,26-28H,3-7,16-20H2,1-2H3/q+1