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

Systemtic Name: methyl 1-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-methylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(o-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=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

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