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

Systemtic Name: 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C17H26N5OS2+ MolecularWeight: 380.55124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C)C2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CCSC1=NN=C(N1C)C2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H25N5OS2/c1-3-24-17-20-19-16(21(17)2)13-6-8-22(9-7-13)12-15(23)18-11-14-5-4-10-25-14/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,18,23)/p+1