2-(4-bromophenyl)-7,8-dimethoxy-5-methyl-isochromeno[3,4-b]pyrrol-3-ium perchlorate

Systemtic Name: 2-(4-bromophenyl)-7,8-dimethoxy-5-methyl-isochromeno[3,4-b]pyrrol-3-ium perchlorate Openeye Name: 2-(4-bromophenyl)-7,8-dimethoxy-5-methyl-isochromeno[3,4-b]pyrrol-3-ium perchlorate CAS Name: 2-(4-bromophenyl)-7,8-dimethoxy-5-methyl[2]benzopyrano[3,4-b]pyrrol-3-ium perchlorate IUPAC Name: 2-(4-bromophenyl)-7,8-dimethoxy-5-methylisochromeno[3,4-b]pyrrol-3-ium perchlorate Traditional Name: 2-(4-bromophenyl)-7,8-dimethoxy-5-methyl-isochromeno[3,4-b]pyrrol-3-ium perchlorate Formula: C20H17BrClNO7 MolecularWeight: 498.70848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=C3C=C([NH+]=C3O1)C4=CC=C(C=C4)Br)OC)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2C=C(C(=CC2=C3C=C([NH+]=C3O1)C4=CC=C(C=C4)Br)OC)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H16BrNO3.ClHO4/c1-11-14-9-18(23-2)19(24-3)10-15(14)16-8-17(22-20(16)25-11)12-4-6-13(21)7-5-12;2-1(3,4)5/h4-10H,1-3H3;(H,2,3,4,5)