3-[(E)-2-[4-cyclohexyl-6-(4-fluorophenyl)-2-propan-2-yl-pyrimidin-1-ium-1-yl]ethenyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 3-[(E)-2-[4-cyclohexyl-6-(4-fluorophenyl)-2-propan-2-yl-pyrimidin-1-ium-1-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 3-[(E)-2-[4-cyclohexyl-6-(4-fluorophenyl)-2-isopropyl-pyrimidin-1-ium-1-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 3-[(E)-2-[4-cyclohexyl-6-(4-fluorophenyl)-2-propan-2-yl-1-pyrimidin-1-iumyl]ethenyl]-4-hydroxy-2-oxanone IUPAC Name: 3-[(E)-2-[4-cyclohexyl-6-(4-fluorophenyl)-2-propan-2-ylpyrimidin-1-ium-1-yl]ethenyl]-4-hydroxyoxan-2-one Traditional Name: 3-[(E)-2-[4-cyclohexyl-6-(4-fluorophenyl)-2-isopropyl-pyrimidin-1-ium-1-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one Formula: C26H32FN2O3+ MolecularWeight: 439.542283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C(=CC(=N1)C2CCCCC2)C3=CC=C(C=C3)F)C=CC4C(CCOC4=O)O

Isomeric SMILES

CC(C)C1=[N+](C(=CC(=N1)C2CCCCC2)C3=CC=C(C=C3)F)/C=C/C4C(CCOC4=O)O

InChI

InChI=1S/C26H32FN2O3/c1-17(2)25-28-22(18-6-4-3-5-7-18)16-23(19-8-10-20(27)11-9-19)29(25)14-12-21-24(30)13-15-32-26(21)31/h8-12,14,16-18,21,24,30H,3-7,13,15H2,1-2H3/q+1/b14-12+