ethyl 4-[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N(CCC#N)C2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N(CCC#N)C2=CC=CC=C2OC

InChI

InChI=1S/C19H26N4O4/c1-3-27-19(25)22-13-11-21(12-14-22)15-18(24)23(10-6-9-20)16-7-4-5-8-17(16)26-2/h4-5,7-8H,3,6,10-15H2,1-2H3/p+1