1-(2-piperidin-1-ium-1-ylethylsulfanyl)-3H-[1,2,4]triazolo[4,3-a]benzimidazole

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethylsulfanyl)-3H-[1,2,4]triazolo[4,3-a]benzimidazole Openeye Name: 1-(2-piperidin-1-ium-1-ylethylsulfanyl)-3H-[1,2,4]triazolo[4,3-a]benzimidazole CAS Name: 1-[2-(1-piperidin-1-iumyl)ethylthio]-3H-[1,2,4]triazolo[4,3-a]benzimidazole IUPAC Name: 1-(2-piperidin-1-ium-1-ylethylsulfanyl)-3H-[1,2,4]triazolo[4,3-a]benzimidazole Traditional Name: 1-(2-piperidin-1-ium-1-ylethylthio)-3H-[1,2,4]triazolo[4,3-a]benzimidazole Formula: C15H20N5S+ MolecularWeight: 302.4178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NNC3=NC4=CC=CC=C4N32

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NNC3=NC4=CC=CC=C4N32

InChI

InChI=1S/C15H19N5S/c1-4-8-19(9-5-1)10-11-21-15-18-17-14-16-12-6-2-3-7-13(12)20(14)15/h2-3,6-7H,1,4-5,8-11H2,(H,16,17)/p+1