3-chloranyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

Systemtic Name: 3-chloranyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine Openeye Name: 3-chloro-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methyleneamino]-5-(trifluoromethyl)pyridin-2-amine CAS Name: 3-chloro-N-[[2-(4-methyl-1-piperazin-4-iumyl)phenyl]methylideneamino]-5-(trifluoromethyl)-2-pyridinamine IUPAC Name: 3-chloro-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[[2-(4-methylpiperazin-4-ium-1-yl)benzylidene]amino]amine Formula: C18H20ClF3N5+ MolecularWeight: 398.83311

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2C=NNC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2C=NNC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H19ClF3N5/c1-26-6-8-27(9-7-26)16-5-3-2-4-13(16)11-24-25-17-15(19)10-14(12-23-17)18(20,21)22/h2-5,10-12H,6-9H2,1H3,(H,23,25)/p+1