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

Systemtic Name: methyl (E)-3-[4-bromanyl-7-fluoranyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-[4-bromo-7-fluoro-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-[4-bromo-7-fluoro-3-(4-methoxyphenyl)-2-isoquinolin-2-iumyl]-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-bromo-7-fluoro-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-[4-bromo-7-fluoro-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C22H18BrFNO6+ MolecularWeight: 491.283823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](C=C3C=C(C=CC3=C2Br)F)C(=C(O)OC)C(=O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](C=C3C=C(C=CC3=C2Br)F)/C(=C(\O)/OC)/C(=O)C(=O)OC

InChI

InChI=1S/C22H17BrFNO6/c1-29-15-7-4-12(5-8-15)18-17(23)16-9-6-14(24)10-13(16)11-25(18)19(21(27)30-2)20(26)22(28)31-3/h4-11H,1-3H3/p+1