N-[1-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]propane-1-sulfonamide

Systemtic Name: N-[1-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]propane-1-sulfonamide Openeye Name: N-[1-[[3-(2-furyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]propane-1-sulfonamide CAS Name: N-[1-[[3-(2-furanyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]-1-propanesulfonamide IUPAC Name: N-[1-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]propane-1-sulfonamide Traditional Name: N-[1-[[3-(2-furyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]propane-1-sulfonamide Formula: C16H26N5O3S2+ MolecularWeight: 400.53934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)C

Isomeric SMILES

CCCS(=O)(=O)NC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)C

InChI

InChI=1S/C16H25N5O3S2/c1-3-11-26(22,23)18-13-6-8-20(9-7-13)12-21-16(25)19(2)15(17-21)14-5-4-10-24-14/h4-5,10,13,18H,3,6-9,11-12H2,1-2H3/p+1