N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C22H25FN7O+ MolecularWeight: 422.478603

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NCCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NCCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H24FN7O/c23-15-5-6-20-19(13-15)27-28-30(20)16-8-11-29(12-9-16)14-22(31)24-10-7-21-25-17-3-1-2-4-18(17)26-21/h1-6,13,16H,7-12,14H2,(H,24,31)(H,25,26)/p+1