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

Systemtic Name: 6-methyl-2-(phenylmethyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Openeye Name: 2-benzyl-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile CAS Name: 6-methyl-2-(phenylmethyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile IUPAC Name: 2-benzyl-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Traditional Name: 2-benzyl-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Formula: C15H12F6N3+ MolecularWeight: 348.266299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([NH+]=C(N1)CC2=CC=CC=C2)(C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C([NH+]=C(N1)CC2=CC=CC=C2)(C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C15H11F6N3/c1-9-11(8-22)13(14(16,17)18,15(19,20)21)24-12(23-9)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3,(H,23,24)/p+1