(1-methylpiperidin-1-ium-4-yl) 3-methylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2CC[NH+](CC2)C

InChI

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