6-methyl-2-(3-methylphenyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile

Systemtic Name: 6-methyl-2-(3-methylphenyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Openeye Name: 6-methyl-2-(m-tolyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile CAS Name: 6-methyl-2-(3-methylphenyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile IUPAC Name: 6-methyl-2-(3-methylphenyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Traditional Name: 6-methyl-2-(m-tolyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Formula: C15H12F6N3+ MolecularWeight: 348.266299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=[NH+]C(C(=C(N2)C)C#N)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=[NH+]C(C(=C(N2)C)C#N)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H11F6N3/c1-8-4-3-5-10(6-8)12-23-9(2)11(7-22)13(24-12,14(16,17)18)15(19,20)21/h3-6H,1-2H3,(H,23,24)/p+1