2-[4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C26H26FN6O2+ MolecularWeight: 473.522043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H25FN6O2/c27-21-9-11-22(12-10-21)28-25(34)18-31-13-15-32(16-14-31)26(35)20-7-5-19(6-8-20)17-33-24-4-2-1-3-23(24)29-30-33/h1-12H,13-18H2,(H,28,34)/p+1