(5S)-2-(3-methoxyphenyl)-6-methylidene-4,4-bis(trifluoromethyl)-1,5-dihydropyrimidin-3-ium-5-carbonitrile

Systemtic Name: (5S)-2-(3-methoxyphenyl)-6-methylidene-4,4-bis(trifluoromethyl)-1,5-dihydropyrimidin-3-ium-5-carbonitrile Openeye Name: (5S)-2-(3-methoxyphenyl)-6-methylene-4,4-bis(trifluoromethyl)-1,5-dihydropyrimidin-3-ium-5-carbonitrile CAS Name: (5S)-2-(3-methoxyphenyl)-6-methylene-4,4-bis(trifluoromethyl)-1,5-dihydropyrimidin-3-ium-5-carbonitrile IUPAC Name: (5S)-2-(3-methoxyphenyl)-6-methylidene-4,4-bis(trifluoromethyl)-1,5-dihydropyrimidin-3-ium-5-carbonitrile Traditional Name: (5S)-2-(3-methoxyphenyl)-6-methylene-4,4-bis(trifluoromethyl)-1,5-dihydropyrimidin-3-ium-5-carbonitrile Formula: C15H12F6N3O+ MolecularWeight: 364.265699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=[NH+]C(C(C(=C)N2)C#N)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=[NH+]C([C@H](C(=C)N2)C#N)(C(F)(F)F)C(F)(F)F

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/h3-6,11H,1H2,2H3,(H,23,24)/p+1/t11-/m0/s1