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

Systemtic Name: 2-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-1-ium-4-yl]-1H-benzimidazole Openeye Name: 2-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-1-ium-4-yl]-1H-benzimidazole CAS Name: 2-[1-[3-(1,2,4-triazol-1-yl)propyl]-4-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-1-ium-4-yl]-1H-benzimidazole Traditional Name: 2-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-1-ium-4-yl]-1H-benzimidazole Formula: C17H23N6+ MolecularWeight: 311.40472

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CCCN4C=NC=N4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CCCN4C=NC=N4

InChI

InChI=1S/C17H22N6/c1-2-5-16-15(4-1)20-17(21-16)14-6-10-22(11-7-14)8-3-9-23-13-18-12-19-23/h1-2,4-5,12-14H,3,6-11H2,(H,20,21)/p+1