(10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) pyridine-3-carboxylate bromide

Systemtic Name: (10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) pyridine-3-carboxylate bromide Openeye Name: (10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) pyridine-3-carboxylate bromide CAS Name: 3-pyridinecarboxylic 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) pyridine-3-carboxylate bromide Traditional Name: nicotinic acid (10-methoxyisoquinolin[2,1-b]isoquinolin-7-ium-9-yl) ester bromide Formula: C24H17BrN2O3 MolecularWeight: 461.30738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17N2O3.BrH/c1-28-22-9-8-17-13-21-19-7-3-2-5-16(19)10-12-26(21)15-20(17)23(22)29-24(27)18-6-4-11-25-14-18;/h2-15H,1H3;1H/q+1;/p-1