2-[[4-(4-phenyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(4-phenyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(4-phenyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(4-phenyl-1-triazolyl)-1-piperidin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(4-phenyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(4-phenyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole Formula: C21H23N6+ MolecularWeight: 359.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H22N6/c1-2-6-16(7-3-1)20-14-27(25-24-20)17-10-12-26(13-11-17)15-21-22-18-8-4-5-9-19(18)23-21/h1-9,14,17H,10-13,15H2,(H,22,23)/p+1