3-chloranyl-N-(2-imidazo[4,5-b]pyridin-3-ylethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine

Systemtic Name: 3-chloranyl-N-(2-imidazo[4,5-b]pyridin-3-ylethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine Openeye Name: 3-chloro-N-(2-imidazo[4,5-b]pyridin-3-ylethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine CAS Name: 3-chloro-N-[2-(3-imidazo[4,5-b]pyridinyl)ethyl]-5-(trifluoromethyl)-2-pyridin-1-iumamine IUPAC Name: 3-chloro-N-(2-imidazo[4,5-b]pyridin-3-ylethyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine Traditional Name: [3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-(2-imidazo[4,5-b]pyridin-3-ylethyl)amine Formula: C14H12ClF3N5+ MolecularWeight: 342.72679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N(C=N2)CCNC3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC2=C(N=C1)N(C=N2)CCNC3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C14H11ClF3N5/c15-10-6-9(14(16,17)18)7-21-12(10)19-4-5-23-8-22-11-2-1-3-20-13(11)23/h1-3,6-8H,4-5H2,(H,19,21)/p+1