(10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) (E)-3-phenylprop-2-enoate bromide

Systemtic Name: (10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) (E)-3-phenylprop-2-enoate bromide Openeye Name: (10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) (E)-3-phenylprop-2-enoate bromide CAS Name: (E)-3-phenyl-2-propenoic acid (10-methoxy-9-isoquinolino[2,1-b]isoquinolin-7-iumyl) ester bromide IUPAC Name: (10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) (E)-3-phenylprop-2-enoate bromide Traditional Name: (E)-3-phenylacrylic acid (10-methoxyisoquinolin[2,1-b]isoquinolin-7-ium-9-yl) ester bromide Formula: C27H20BrNO3 MolecularWeight: 486.3566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC=CC=C4C=C3)OC(=O)C=CC5=CC=CC=C5.[Br-]

Isomeric SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC=CC=C4C=C3)OC(=O)/C=C/C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H20NO3.BrH/c1-30-25-13-12-21-17-24-22-10-6-5-9-20(22)15-16-28(24)18-23(21)27(25)31-26(29)14-11-19-7-3-2-4-8-19;/h2-18H,1H3;1H/q+1;/p-1/b14-11+;