N'-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)-N-[6-(trifluoromethyl)pyridin-1-ium-2-yl]ethane-1,2-diamine

Systemtic Name: N'-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)-N-[6-(trifluoromethyl)pyridin-1-ium-2-yl]ethane-1,2-diamine Openeye Name: N'-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]-N-[6-(trifluoromethyl)pyridin-1-ium-2-yl]ethane-1,2-diamine CAS Name: N'-[5-chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]-N-[6-(trifluoromethyl)-2-pyridin-1-iumyl]ethane-1,2-diamine IUPAC Name: N'-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[6-(trifluoromethyl)pyridin-1-ium-2-yl]ethane-1,2-diamine Traditional Name: [5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]-[2-[[6-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]amine Formula: C18H17ClF3N6+ MolecularWeight: 409.81599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=N2)NCCNC3=CC=CC(=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=N2)NCCNC3=CC=CC(=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(26-11)12-5-2-3-8-23-12)25-10-9-24-14-7-4-6-13(27-14)18(20,21)22/h2-8H,9-10H2,1H3,(H,24,27)(H,25,26,28)/p+1