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

Systemtic Name: 2,6-dimethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Openeye Name: 2,6-dimethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile CAS Name: 2,6-dimethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile IUPAC Name: 2,6-dimethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Traditional Name: 2,6-dimethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Formula: C9H8F6N3+ MolecularWeight: 272.170339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7F6N3/c1-4-6(3-16)7(8(10,11)12,9(13,14)15)18-5(2)17-4/h1-2H3,(H,17,18)/p+1