[(3R)-1-methylpiperidin-1-ium-3-yl] 2,3-dimethylbenzoate

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2,3-dimethylbenzoate Openeye Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [(3R)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [(3R)-1-methylpiperidin-1-ium-3-yl] ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OC2CCC[NH+](C2)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)O[C@@H]2CCC[NH+](C2)C

InChI

InChI=1S/C15H21NO2/c1-11-6-4-8-14(12(11)2)15(17)18-13-7-5-9-16(3)10-13/h4,6,8,13H,5,7,9-10H2,1-3H3/p+1/t13-/m1/s1