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

Systemtic Name: ethyl 4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H19N4O3S+ MolecularWeight: 323.39066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O3S/c1-2-21-14(20)18-6-4-17(5-7-18)10-12(19)16-13-11(9-15)3-8-22-13/h3,8H,2,4-7,10H2,1H3,(H,16,19)/p+1