2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C16H24N5OS2+ MolecularWeight: 366.52466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SC)C2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C16H23N5OS2/c1-20-15(18-19-16(20)23-2)12-5-7-21(8-6-12)11-14(22)17-10-13-4-3-9-24-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,17,22)/p+1