2H-benzotriazol-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C19H19F3N5O+ MolecularWeight: 390.38227

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C19H18F3N5O/c20-19(21,22)15-4-1-13(2-5-15)12-26-7-9-27(10-8-26)18(28)14-3-6-16-17(11-14)24-25-23-16/h1-6,11H,7-10,12H2,(H,23,24,25)/p+1