1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-(m-tolylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-methylbenzyl)piperidin-1-ium-4-carboxylate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)10-15-7-5-13(6-8-15)14(16)17/h2-4,9,13H,5-8,10H2,1H3,(H,16,17)