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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C17H23ClN2O3.ClH/c1-2-23-17(22)13-4-3-10-20(12-13)11-9-16(21)19-15-7-5-14(18)6-8-15;/h5-8,13H,2-4,9-12H2,1H3,(H,19,21);1H