2-[2-(2-methylisoquinolin-2-ium-6-yl)oxyethyl]isoindole-1,3-dione bromide

Systemtic Name: 2-[2-(2-methylisoquinolin-2-ium-6-yl)oxyethyl]isoindole-1,3-dione bromide Openeye Name: 2-[2-(2-methylisoquinolin-2-ium-6-yl)oxyethyl]isoindoline-1,3-dione bromide CAS Name: 2-[2-[(2-methyl-6-isoquinolin-2-iumyl)oxy]ethyl]isoindole-1,3-dione bromide IUPAC Name: 2-[2-(2-methylisoquinolin-2-ium-6-yl)oxyethyl]isoindole-1,3-dione bromide Traditional Name: 2-[2-(2-methylisoquinolin-2-ium-6-yl)oxyethyl]isoindoline-1,3-quinone bromide Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C20H17N2O3.BrH/c1-21-9-8-14-12-16(7-6-15(14)13-21)25-11-10-22-19(23)17-4-2-3-5-18(17)20(22)24;/h2-9,12-13H,10-11H2,1H3;1H/q+1;/p-1