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

Systemtic Name: 2-(3-methoxyphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Openeye Name: 2-(3-methoxyphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile CAS Name: 2-(3-methoxyphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile IUPAC Name: 2-(3-methoxyphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Traditional Name: 2-(3-methoxyphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Formula: C15H12F6N3O+ MolecularWeight: 364.265699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F6N3O/c1-8-11(7-22)13(14(16,17)18,15(19,20)21)24-12(23-8)9-4-3-5-10(6-9)25-2/h3-6H,1-2H3,(H,23,24)/p+1