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

Systemtic Name: (E)-2-(3-butyl-4-phenyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-bis(oxidanylidene)but-1-en-1-olate Openeye Name: (E)-2-(3-butyl-4-phenyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxo-but-1-en-1-olate CAS Name: (E)-2-(3-butyl-4-phenyl-2-isoquinolin-2-iumyl)-1,4-dimethoxy-3,4-dioxo-1-buten-1-olate IUPAC Name: (E)-2-(3-butyl-4-phenylisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxobut-1-en-1-olate Traditional Name: (E)-2-(3-butyl-4-phenyl-isoquinolin-2-ium-2-yl)-3,4-diketo-1,4-dimethoxy-but-1-en-1-olate Formula: C25H25NO5 MolecularWeight: 419.4697

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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)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2C=[N+]1/C(=C(\[O-])/OC)/C(=O)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO5/c1-4-5-15-20-21(17-11-7-6-8-12-17)19-14-10-9-13-18(19)16-26(20)22(24(28)30-2)23(27)25(29)31-3/h6-14,16H,4-5,15H2,1-3H3