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

Systemtic Name: 2-(3-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Openeye Name: 2-(3-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile CAS Name: 2-(3-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile IUPAC Name: 2-(3-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Traditional Name: 2-(3-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Formula: C14H9ClF6N3+ MolecularWeight: 368.684779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8ClF6N3/c1-7-10(6-22)12(13(16,17)18,14(19,20)21)24-11(23-7)8-3-2-4-9(15)5-8/h2-5H,1H3,(H,23,24)/p+1