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

Systemtic Name: methyl 1-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[2-(o-tolyl)ethylamino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C18H26N2O3/c1-14-5-3-4-6-15(14)7-10-19-17(21)13-20-11-8-16(9-12-20)18(22)23-2/h3-6,16H,7-13H2,1-2H3,(H,19,21)/p+1