(E)-2-[4-bromanyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-1,4-dimethoxy-3,4-bis(oxidanylidene)but-1-en-1-olate

Systemtic Name: (E)-2-[4-bromanyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-1,4-dimethoxy-3,4-bis(oxidanylidene)but-1-en-1-olate Openeye Name: (E)-2-[4-bromo-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-1,4-dimethoxy-3,4-dioxo-but-1-en-1-olate CAS Name: (E)-2-[4-bromo-3-(4-methoxyphenyl)-2-isoquinolin-2-iumyl]-1,4-dimethoxy-3,4-dioxo-1-buten-1-olate IUPAC Name: (E)-2-[4-bromo-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-1,4-dimethoxy-3,4-dioxobut-1-en-1-olate Traditional Name: (E)-2-[4-bromo-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-3,4-diketo-1,4-dimethoxy-but-1-en-1-olate Formula: C22H18BrNO6 MolecularWeight: 472.28542

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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