1-piperidin-1-ium-4-yl-5-(trifluoromethyl)benzotriazole chloride

Systemtic Name: 1-piperidin-1-ium-4-yl-5-(trifluoromethyl)benzotriazole chloride Openeye Name: 1-piperidin-1-ium-4-yl-5-(trifluoromethyl)benzotriazole chloride CAS Name: 1-(4-piperidin-1-iumyl)-5-(trifluoromethyl)benzotriazole chloride IUPAC Name: 1-piperidin-1-ium-4-yl-5-(trifluoromethyl)benzotriazole chloride Traditional Name: 1-piperidin-1-ium-4-yl-5-(trifluoromethyl)benzotriazole chloride Formula: C12H14ClF3N4 MolecularWeight: 306.71457

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2.[Cl-]

Isomeric SMILES

C1C[NH2+]CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2.[Cl-]

InChI

InChI=1S/C12H13F3N4.ClH/c13-12(14,15)8-1-2-11-10(7-8)17-18-19(11)9-3-5-16-6-4-9;/h1-2,7,9,16H,3-6H2;1H