[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate

Systemtic Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate Openeye Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [(1R,5S)-8-methyl-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(=CC(=C1)C(=O)OC2CC3CCC(C2)[NH+]3C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3/p+1/t14-,15+,16?