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

Systemtic Name: ethyl 1-[3-[(2-chlorophenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-[3-(2-chloroanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate chloride CAS Name: 1-[3-(2-chloroanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidin-1-ium-4-carboxylate chloride Traditional Name: 1-[3-(2-chloroanilino)-3-keto-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C17H24Cl2N2O3 MolecularWeight: 375.29006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2Cl.[Cl-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2Cl.[Cl-]

InChI

InChI=1S/C17H23ClN2O3.ClH/c1-2-23-17(22)13-7-10-20(11-8-13)12-9-16(21)19-15-6-4-3-5-14(15)18;/h3-6,13H,2,7-12H2,1H3,(H,19,21);1H