2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide Formula: C20H23N6OS+ MolecularWeight: 395.50122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C20H22N6OS/c1-13-14(2)28-20(16(13)11-21)22-19(27)12-25-9-7-15(8-10-25)26-18-6-4-3-5-17(18)23-24-26/h3-6,15H,7-10,12H2,1-2H3,(H,22,27)/p+1