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

Systemtic Name: 2-cyclohexyl-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Openeye Name: 2-cyclohexyl-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile CAS Name: 2-cyclohexyl-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile IUPAC Name: 2-cyclohexyl-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Traditional Name: 2-cyclohexyl-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Formula: C14H16F6N3+ MolecularWeight: 340.287359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([NH+]=C(N1)C2CCCCC2)(C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C([NH+]=C(N1)C2CCCCC2)(C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C14H15F6N3/c1-8-10(7-21)12(13(15,16)17,14(18,19)20)23-11(22-8)9-5-3-2-4-6-9/h9H,2-6H2,1H3,(H,22,23)/p+1