N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-3-(trifluoromethyl)pyridin-1-ium-2-amine

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-3-(trifluoromethyl)pyridin-1-ium-2-amine Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-3-(trifluoromethyl)pyridin-1-ium-2-amine CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-3-(trifluoromethyl)-2-pyridin-1-iumamine IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-3-(trifluoromethyl)pyridin-1-ium-2-amine Traditional Name: [2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl-[3-(trifluoromethyl)pyridin-1-ium-2-yl]amine Formula: C17H23F3N5+3 MolecularWeight: 354.39323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C17H20F3N5/c1-24-8-10-25(11-9-24)16-13(4-2-7-22-16)12-23-15-14(17(18,19)20)5-3-6-21-15/h2-7H,8-12H2,1H3,(H,21,23)/p+3