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

Systemtic Name: 6-methyl-2-phenethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Openeye Name: 6-methyl-2-phenethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile CAS Name: 6-methyl-2-phenethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile IUPAC Name: 6-methyl-2-phenethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Traditional Name: 6-methyl-2-phenethyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Formula: C16H14F6N3+ MolecularWeight: 362.292879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([NH+]=C(N1)CCC2=CC=CC=C2)(C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C([NH+]=C(N1)CCC2=CC=CC=C2)(C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C16H13F6N3/c1-10-12(9-23)14(15(17,18)19,16(20,21)22)25-13(24-10)8-7-11-5-3-2-4-6-11/h2-6H,7-8H2,1H3,(H,24,25)/p+1