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

Systemtic Name: (10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) decanoate bromide Openeye Name: (10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) decanoate bromide CAS Name: decanoic 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) decanoate bromide Traditional Name: capric acid (10-methoxyisoquinolin[2,1-b]isoquinolin-7-ium-9-yl) ester bromide Formula: C28H32BrNO3 MolecularWeight: 510.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32NO3.BrH/c1-3-4-5-6-7-8-9-14-27(30)32-28-24-20-29-18-17-21-12-10-11-13-23(21)25(29)19-22(24)15-16-26(28)31-2;/h10-13,15-20H,3-9,14H2,1-2H3;1H/q+1;/p-1