6-methyl-2-pyridin-1-ium-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-methyl-2-pyridin-1-ium-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-methyl-2-pyridin-1-ium-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-methyl-2-(4-pyridin-1-iumyl)-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-methyl-2-pyridin-1-ium-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 6-methyl-2-pyridin-1-ium-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile Formula: C13H9F6N4+ MolecularWeight: 335.227779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)C2=CC=[NH+]C=C2)(C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(N=C(N1)C2=CC=[NH+]C=C2)(C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C13H8F6N4/c1-7-9(6-20)11(12(14,15)16,13(17,18)19)23-10(22-7)8-2-4-21-5-3-8/h2-5H,1H3,(H,22,23)/p+1