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

Systemtic Name: ethyl 4-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H21N4O3S+ MolecularWeight: 337.41724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C15H20N4O3S/c1-2-22-15(21)19-8-6-18(7-9-19)5-3-13(20)17-14-12(11-16)4-10-23-14/h4,10H,2-3,5-9H2,1H3,(H,17,20)/p+1