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

Systemtic Name: 2-[(3S)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[(3S)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[(3S)-1-[2-(1,2,4-triazol-1-yl)ethyl]-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[(3S)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[(3S)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C16H21N6+ MolecularWeight: 297.37814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCN2C=NC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCN2C=NC=N2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C16H20N6/c1-2-6-15-14(5-1)19-16(20-15)13-4-3-7-21(10-13)8-9-22-12-17-11-18-22/h1-2,5-6,11-13H,3-4,7-10H2,(H,19,20)/p+1/t13-/m0/s1