[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-methylbenzoate

Systemtic Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-methylbenzoate Openeye Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C

InChI

InChI=1S/C17H24NO2/c1-12-4-6-13(7-5-12)17(19)20-16-10-14-8-9-15(11-16)18(14,2)3/h4-7,14-16H,8-11H2,1-3H3/q+1/t14-,15+,16?