ethyl 4-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H20ClN4O3+ MolecularWeight: 351.808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C16H19ClN4O3/c1-2-24-16(23)21-7-5-20(6-8-21)11-15(22)19-14-9-13(17)4-3-12(14)10-18/h3-4,9H,2,5-8,11H2,1H3,(H,19,22)/p+1