ethyl 2-(4-carbamimidoylsulfanyl-1-methyl-piperidin-4-yl)-2-cyano-ethanoate hydrochloride

Systemtic Name: ethyl 2-(4-carbamimidoylsulfanyl-1-methyl-piperidin-4-yl)-2-cyano-ethanoate hydrochloride Openeye Name: ethyl 2-(4-carbamimidoylsulfanyl-1-methyl-4-piperidyl)-2-cyano-acetate hydrochloride CAS Name: 2-[4-(carbamimidoylthio)-1-methyl-4-piperidinyl]-2-cyanoacetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-(4-carbamimidoylsulfanyl-1-methylpiperidin-4-yl)-2-cyanoacetate hydrochloride Traditional Name: 2-[4-(amidinothio)-1-methyl-4-piperidyl]-2-cyano-acetic acid ethyl ester hydrochloride Formula: C12H21ClN4O2S MolecularWeight: 320.83874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(CCN(CC1)C)SC(=N)N.Cl

Isomeric SMILES

CCOC(=O)C(C#N)C1(CCN(CC1)C)SC(=N)N.Cl

InChI

InChI=1S/C12H20N4O2S.ClH/c1-3-18-10(17)9(8-13)12(19-11(14)15)4-6-16(2)7-5-12;/h9H,3-7H2,1-2H3,(H3,14,15);1H