ethyl 4-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(3-chloro-4-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=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

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

InChI

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