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

Systemtic Name: ethyl 1-[3-[(3-methylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-[3-(3-methylanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate chloride CAS Name: 1-[3-(3-methylanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-[3-(3-methylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxylate chloride Traditional Name: 1-[3-keto-3-(m-toluidino)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C18H27ClN2O3 MolecularWeight: 354.87158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC(=C2)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC(=C2)C.[Cl-]

InChI

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