1-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-6-methyl-4-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 1-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-6-methyl-4-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-6-methyl-4-oxo-pyrimidine-5-carbonitrile CAS Name: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]-6-methyl-4-oxo-5-pyrimidinecarbonitrile IUPAC Name: 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-6-methyl-4-oxopyrimidine-5-carbonitrile Traditional Name: 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-4-keto-6-methyl-pyrimidine-5-carbonitrile Formula: C14H12ClF3N5O+ MolecularWeight: 358.72619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=CN1CCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C#N

Isomeric SMILES

CC1=C(C(=O)N=CN1CCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C14H11ClF3N5O/c1-8-10(5-19)13(24)22-7-23(8)3-2-20-12-11(15)4-9(6-21-12)14(16,17)18/h4,6-7H,2-3H2,1H3,(H,20,21)/p+1