6-[(E)-2-[4-(4-fluorophenyl)-6-methyl-1-oxidanidyl-2-propan-2-yl-pyridin-1-ium-3-yl]ethenyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 6-[(E)-2-[4-(4-fluorophenyl)-6-methyl-1-oxidanidyl-2-propan-2-yl-pyridin-1-ium-3-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 6-[(E)-2-[4-(4-fluorophenyl)-2-isopropyl-6-methyl-1-oxido-pyridin-1-ium-3-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 6-[(E)-2-[4-(4-fluorophenyl)-6-methyl-1-oxido-2-propan-2-yl-3-pyridin-1-iumyl]ethenyl]-4-hydroxy-2-oxanone IUPAC Name: 6-[(E)-2-[4-(4-fluorophenyl)-6-methyl-1-oxido-2-propan-2-ylpyridin-1-ium-3-yl]ethenyl]-4-hydroxyoxan-2-one Traditional Name: 6-[(E)-2-[4-(4-fluorophenyl)-2-isopropyl-6-methyl-1-oxido-pyridin-1-ium-3-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one Formula: C22H24FNO4 MolecularWeight: 385.428663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C(=C1)C2=CC=C(C=C2)F)C=CC3CC(CC(=O)O3)O)C(C)C)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C(=C1)C2=CC=C(C=C2)F)/C=C/C3CC(CC(=O)O3)O)C(C)C)[O-]

InChI

InChI=1S/C22H24FNO4/c1-13(2)22-19(9-8-18-11-17(25)12-21(26)28-18)20(10-14(3)24(22)27)15-4-6-16(23)7-5-15/h4-10,13,17-18,25H,11-12H2,1-3H3/b9-8+