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

Systemtic Name: ethyl 4-[3-[(2-chlorophenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(2-chloroanilino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(2-chloroanilino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(2-chloroanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-(2-chloroanilino)-3-keto-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C16H23Cl2N3O3 MolecularWeight: 376.27812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2Cl.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2Cl.[Cl-]

InChI

InChI=1S/C16H22ClN3O3.ClH/c1-2-23-16(22)20-11-9-19(10-12-20)8-7-15(21)18-14-6-4-3-5-13(14)17;/h3-6H,2,7-12H2,1H3,(H,18,21);1H