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

Systemtic Name: (E)-2-(4-bromanyl-3-butyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-bis(oxidanylidene)but-1-en-1-olate Openeye Name: (E)-2-(4-bromo-3-butyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxo-but-1-en-1-olate CAS Name: (E)-2-(4-bromo-3-butyl-2-isoquinolin-2-iumyl)-1,4-dimethoxy-3,4-dioxo-1-buten-1-olate IUPAC Name: (E)-2-(4-bromo-3-butylisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxobut-1-en-1-olate Traditional Name: (E)-2-(4-bromo-3-butyl-isoquinolin-2-ium-2-yl)-3,4-diketo-1,4-dimethoxy-but-1-en-1-olate Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2C=[N+]1C(=C([O-])OC)C(=O)C(=O)OC)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2C=[N+]1/C(=C(\[O-])/OC)/C(=O)C(=O)OC)Br

InChI

InChI=1S/C19H20BrNO5/c1-4-5-10-14-15(20)13-9-7-6-8-12(13)11-21(14)16(18(23)25-2)17(22)19(24)26-3/h6-9,11H,4-5,10H2,1-3H3