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

Systemtic Name: 2-[4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C26H26ClN6O2+ MolecularWeight: 489.97664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H25ClN6O2/c27-21-5-1-2-6-22(21)28-25(34)18-31-13-15-32(16-14-31)26(35)20-11-9-19(10-12-20)17-33-24-8-4-3-7-23(24)29-30-33/h1-12H,13-18H2,(H,28,34)/p+1