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

Systemtic Name: ethyl 1-[3-[(2-methylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(2-methylanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(2-methylanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-(o-toluidino)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C18H26N2O3/c1-3-23-18(22)15-8-11-20(12-9-15)13-10-17(21)19-16-7-5-4-6-14(16)2/h4-7,15H,3,8-13H2,1-2H3,(H,19,21)/p+1