1-(furan-2-ylmethyl)-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium

Systemtic Name: 1-(furan-2-ylmethyl)-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium Openeye Name: 1-(2-furylmethyl)-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium CAS Name: 1-(2-furanylmethyl)-4-[4-methyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: 1-(furan-2-ylmethyl)-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium Traditional Name: 1-(2-furfuryl)-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium Formula: C20H33N5OS+2 MolecularWeight: 391.57392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C20H31N5OS/c1-23-19(17-7-11-25(12-8-17)16-18-6-5-14-26-18)21-22-20(23)27-15-13-24-9-3-2-4-10-24/h5-6,14,17H,2-4,7-13,15-16H2,1H3/p+2