[8-methyl-8-[(4-methylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [8-methyl-8-[(4-methylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate Openeye Name: [8-methyl-8-(p-tolylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenyl-acetate CAS Name: 2-hydroxy-2-phenylacetic acid [8-methyl-8-[(4-methylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-methyl-8-[(4-methylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetic acid [8-methyl-8-(4-methylbenzyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C24H30NO3+ MolecularWeight: 380.4999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)O)C

InChI

InChI=1S/C24H30NO3/c1-17-8-10-18(11-9-17)16-25(2)20-12-13-21(25)15-22(14-20)28-24(27)23(26)19-6-4-3-5-7-19/h3-11,20-23,26H,12-16H2,1-2H3/q+1