4-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 4-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethylamino]-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-2-keto-1H-pyridine-3-carbonitrile Formula: C14H12ClF3N5O+ MolecularWeight: 358.72619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=O)C(=C1NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C#N

Isomeric SMILES

C1=CNC(=O)C(=C1NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C14H11ClF3N5O/c15-10-5-8(14(16,17)18)7-23-12(10)21-4-3-20-11-1-2-22-13(24)9(11)6-19/h1-2,5,7H,3-4H2,(H,21,23)(H2,20,22,24)/p+1