2-(2,7-dimethoxy-9-phenoxycarbonyl-acridin-10-ium-10-yl)ethanoic acid bromide

Systemtic Name: 2-(2,7-dimethoxy-9-phenoxycarbonyl-acridin-10-ium-10-yl)ethanoic acid bromide Openeye Name: 2-(2,7-dimethoxy-9-phenoxycarbonyl-acridin-10-ium-10-yl)acetic acid bromide CAS Name: 2-[2,7-dimethoxy-9-[oxo(phenoxy)methyl]-10-acridin-10-iumyl]acetic acid bromide IUPAC Name: 2-(2,7-dimethoxy-9-phenoxycarbonylacridin-10-ium-10-yl)acetic acid bromide Traditional Name: 2-(9-carbophenoxy-2,7-dimethoxy-acridin-10-ium-10-yl)acetic acid bromide Formula: C24H20BrNO6 MolecularWeight: 498.3227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=C3C=CC(=CC3=C2C(=O)OC4=CC=CC=C4)OC)CC(=O)O.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=C3C=CC(=CC3=C2C(=O)OC4=CC=CC=C4)OC)CC(=O)O.[Br-]

InChI

InChI=1S/C24H19NO6.BrH/c1-29-16-8-10-20-18(12-16)23(24(28)31-15-6-4-3-5-7-15)19-13-17(30-2)9-11-21(19)25(20)14-22(26)27;/h3-13H,14H2,1-2H3;1H