methyl (3S,4S)-8-methyl-3-(4-methylphenyl)-8-azoniabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S,4S)-8-methyl-3-(4-methylphenyl)-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4S)-8-methyl-3-(p-tolyl)-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4S)-8-methyl-3-(4-methylphenyl)-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-8-methyl-3-(4-methylphenyl)-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4S)-8-methyl-3-(p-tolyl)-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3CCC(C2C(=O)OC)[NH+]3C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC3CCC([C@H]2C(=O)OC)[NH+]3C

InChI

InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/p+1/t13?,14-,15?,16+/m1/s1