[(3S)-1-methylpiperidin-1-ium-3-yl] 3-methylbenzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2CCC[NH+](C2)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O[C@H]2CCC[NH+](C2)C

InChI

InChI=1S/C14H19NO2/c1-11-5-3-6-12(9-11)14(16)17-13-7-4-8-15(2)10-13/h3,5-6,9,13H,4,7-8,10H2,1-2H3/p+1/t13-/m0/s1