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

Systemtic Name: (10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) propanoate bromide Openeye Name: (10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) propanoate bromide CAS Name: propanoic 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) propanoate bromide Traditional Name: propionic acid (10-methoxyisoquinolin[2,1-b]isoquinolin-7-ium-9-yl) ester bromide Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=CC2=CC3=[N+](C=CC4=CC=CC=C43)C=C21)OC.[Br-]

Isomeric SMILES

CCC(=O)OC1=C(C=CC2=CC3=[N+](C=CC4=CC=CC=C43)C=C21)OC.[Br-]

InChI

InChI=1S/C21H18NO3.BrH/c1-3-20(23)25-21-17-13-22-11-10-14-6-4-5-7-16(14)18(22)12-15(17)8-9-19(21)24-2;/h4-13H,3H2,1-2H3;1H/q+1;/p-1