methyl 1-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(3-methylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(m-toluidino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-12-4-3-5-14(10-12)17-15(19)11-18-8-6-13(7-9-18)16(20)21-2/h3-5,10,13H,6-9,11H2,1-2H3,(H,17,19)/p+1