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

Systemtic Name: 2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Openeye Name: 2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile CAS Name: 2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile IUPAC Name: 2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Traditional Name: 2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Formula: C18H18F6N3+ MolecularWeight: 390.346039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F6N3/c1-10-13(9-25)16(17(19,20)21,18(22,23)24)27-14(26-10)11-5-7-12(8-6-11)15(2,3)4/h5-8H,1-4H3,(H,26,27)/p+1