1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-oxo-2-(p-tolyl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-methylphenyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(p-tolyl)ethyl]piperidin-1-ium-4-carboxylate Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-11-2-4-12(5-3-11)14(17)10-16-8-6-13(7-9-16)15(18)19/h2-5,13H,6-10H2,1H3,(H,18,19)