N-(3-cyanothiophen-2-yl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C19H20N5OS3+ MolecularWeight: 430.59

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)CC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)CC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C19H19N5OS3/c20-9-14-2-8-27-18(14)22-17(25)11-24-5-3-23(4-6-24)10-16-13-28-19(21-16)15-1-7-26-12-15/h1-2,7-8,12-13H,3-6,10-11H2,(H,22,25)/p+1