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

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2-methylbenzoate Openeye Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [(3R)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [(3R)-1-methylpiperidin-1-ium-3-yl] ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-11-6-3-4-8-13(11)14(16)17-12-7-5-9-15(2)10-12/h3-4,6,8,12H,5,7,9-10H2,1-2H3/p+1/t12-/m1/s1