1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]benzotriazole IUPAC Name: 1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]benzotriazole Formula: C17H18F3N6+ MolecularWeight: 363.36023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C17H17F3N6/c18-17(19,20)13-5-6-16(21-11-13)25-9-7-24(8-10-25)12-26-15-4-2-1-3-14(15)22-23-26/h1-6,11H,7-10,12H2/p+1