[(3S)-1-methylpiperidin-1-ium-3-yl] 4-methylbenzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-methylbenzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-11-5-7-12(8-6-11)14(16)17-13-4-3-9-15(2)10-13/h5-8,13H,3-4,9-10H2,1-2H3/p+1/t13-/m0/s1