2-[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C21H24FN6O2+ MolecularWeight: 411.452663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F)N=N1

InChI

InChI=1S/C21H23FN6O2/c1-2-28-19-8-3-15(13-18(19)24-25-28)21(30)27-11-9-26(10-12-27)14-20(29)23-17-6-4-16(22)5-7-17/h3-8,13H,2,9-12,14H2,1H3,(H,23,29)/p+1