methyl (E)-3-[7-fluoranyl-3-(4-methoxyphenyl)-4-phenyl-isoquinolin-2-ium-2-yl]-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl (E)-3-[7-fluoranyl-3-(4-methoxyphenyl)-4-phenyl-isoquinolin-2-ium-2-yl]-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-[7-fluoro-3-(4-methoxyphenyl)-4-phenyl-isoquinolin-2-ium-2-yl]-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-[7-fluoro-3-(4-methoxyphenyl)-4-phenyl-2-isoquinolin-2-iumyl]-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[7-fluoro-3-(4-methoxyphenyl)-4-phenylisoquinolin-2-ium-2-yl]-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-[7-fluoro-3-(4-methoxyphenyl)-4-phenyl-isoquinolin-2-ium-2-yl]-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C28H23FNO6+ MolecularWeight: 488.483723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](C=C3C=C(C=CC3=C2C4=CC=CC=C4)F)C(=C(O)OC)C(=O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](C=C3C=C(C=CC3=C2C4=CC=CC=C4)F)/C(=C(\O)/OC)/C(=O)C(=O)OC

InChI

InChI=1S/C28H22FNO6/c1-34-21-12-9-18(10-13-21)24-23(17-7-5-4-6-8-17)22-14-11-20(29)15-19(22)16-30(24)25(27(32)35-2)26(31)28(33)36-3/h4-16H,1-3H3/p+1