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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)CC4=COC=C4

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)CC4=COC=C4

InChI

InChI=1S/C20H31N5OS/c1-23-19(18-5-10-25(11-6-18)15-17-7-13-26-16-17)21-22-20(23)27-14-12-24-8-3-2-4-9-24/h7,13,16,18H,2-6,8-12,14-15H2,1H3/p+2