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

Systemtic Name: [8-methyl-8-[(4-pentylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate Openeye Name: [8-methyl-8-[(4-pentylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate CAS Name: benzoic acid [8-methyl-8-[(4-pentylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-methyl-8-[(4-pentylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate Traditional Name: benzoic acid [8-(4-amylbenzyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C27H36NO2+ MolecularWeight: 406.58024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H36NO2/c1-3-4-6-9-21-12-14-22(15-13-21)20-28(2)24-16-17-25(28)19-26(18-24)30-27(29)23-10-7-5-8-11-23/h5,7-8,10-15,24-26H,3-4,6,9,16-20H2,1-2H3/q+1