4-nitro-2-[(E)-2-(2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium-8-yl)ethenyl]phenol

Systemtic Name: 4-nitro-2-[(E)-2-(2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium-8-yl)ethenyl]phenol Openeye Name: 4-nitro-2-[(E)-2-(2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium-8-yl)vinyl]phenol CAS Name: 4-nitro-2-[(E)-2-(2,3,10,11-tetramethoxy-8-isoquinolino[2,1-b]isoquinolin-7-iumyl)ethenyl]phenol IUPAC Name: 4-nitro-2-[(E)-2-(2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium-8-yl)ethenyl]phenol Traditional Name: 4-nitro-2-[(E)-2-(2,3,10,11-tetramethoxyisoquinolin[2,1-b]isoquinolin-7-ium-8-yl)vinyl]phenol Formula: C29H25N2O7+ MolecularWeight: 513.518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC3=[N+](C=CC4=CC(=C(C=C43)OC)OC)C(=C2C=C1OC)C=CC5=C(C=CC(=C5)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC2=CC3=[N+](C=CC4=CC(=C(C=C43)OC)OC)C(=C2C=C1OC)/C=C/C5=C(C=CC(=C5)[N+](=O)[O-])O

InChI

InChI=1S/C29H24N2O7/c1-35-26-13-17-9-10-30-23(7-5-18-11-20(31(33)34)6-8-25(18)32)22-16-29(38-4)27(36-2)14-19(22)12-24(30)21(17)15-28(26)37-3/h5-16H,1-4H3/p+1