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

Systemtic Name: methyl (E)-3-[4-bromanyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-[4-bromo-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-[4-bromo-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-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-[4-bromo-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C22H19BrNO6+ MolecularWeight: 473.29336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=[N+]2C(=C(O)OC)C(=O)C(=O)OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=[N+]2/C(=C(\O)/OC)/C(=O)C(=O)OC)Br

InChI

InChI=1S/C22H18BrNO6/c1-28-15-10-8-13(9-11-15)18-17(23)16-7-5-4-6-14(16)12-24(18)19(21(26)29-2)20(25)22(27)30-3/h4-12H,1-3H3/p+1