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

Systemtic Name: 3-[(E)-2-[4,6-bis(4-fluorophenyl)-2-propan-2-yl-pyrimidin-1-ium-1-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 3-[(E)-2-[4,6-bis(4-fluorophenyl)-2-isopropyl-pyrimidin-1-ium-1-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 3-[(E)-2-[4,6-bis(4-fluorophenyl)-2-propan-2-yl-1-pyrimidin-1-iumyl]ethenyl]-4-hydroxy-2-oxanone IUPAC Name: 3-[(E)-2-[4,6-bis(4-fluorophenyl)-2-propan-2-ylpyrimidin-1-ium-1-yl]ethenyl]-4-hydroxyoxan-2-one Traditional Name: 3-[(E)-2-[4,6-bis(4-fluorophenyl)-2-isopropyl-pyrimidin-1-ium-1-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one Formula: C26H25F2N2O3+ MolecularWeight: 451.485106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CC(=[N+]1C=CC2C(CCOC2=O)O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C1=NC(=CC(=[N+]1/C=C/C2C(CCOC2=O)O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H25F2N2O3/c1-16(2)25-29-22(17-3-7-19(27)8-4-17)15-23(18-5-9-20(28)10-6-18)30(25)13-11-21-24(31)12-14-33-26(21)32/h3-11,13,15-16,21,24,31H,12,14H2,1-2H3/q+1/b13-11+