(E)-2-(4-bromanyl-3-butyl-7-fluoranyl-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-7-fluoranyl-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-7-fluoro-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxo-but-1-en-1-olate CAS Name: (E)-2-(4-bromo-3-butyl-7-fluoro-2-isoquinolin-2-iumyl)-1,4-dimethoxy-3,4-dioxo-1-buten-1-olate IUPAC Name: (E)-2-(4-bromo-3-butyl-7-fluoroisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxobut-1-en-1-olate Traditional Name: (E)-2-(4-bromo-3-butyl-7-fluoro-isoquinolin-2-ium-2-yl)-3,4-diketo-1,4-dimethoxy-but-1-en-1-olate Formula: C19H19BrFNO5 MolecularWeight: 440.260263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C=C2C=C(C=CC2=C1Br)F)C(=C([O-])OC)C(=O)C(=O)OC

Isomeric SMILES

CCCCC1=[N+](C=C2C=C(C=CC2=C1Br)F)/C(=C(\[O-])/OC)/C(=O)C(=O)OC

InChI

InChI=1S/C19H19BrFNO5/c1-4-5-6-14-15(20)13-8-7-12(21)9-11(13)10-22(14)16(18(24)26-2)17(23)19(25)27-3/h7-10H,4-6H2,1-3H3