3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-2,12-diol chloride

Systemtic Name: 3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-2,12-diol chloride Openeye Name: 3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-2,12-diol chloride CAS Name: 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2,12-diol chloride IUPAC Name: 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2,12-diol chloride Traditional Name: 3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-2,12-diol chloride Formula: C21H20ClNO5 MolecularWeight: 401.8402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C3=CC(=C4C=C(C(=CC4=C31)OC)O)O)OC)OC.[Cl-]

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=CC(=C4C=C(C(=CC4=C31)OC)O)O)OC)OC.[Cl-]

InChI

InChI=1S/C21H19NO5.ClH/c1-22-10-11-5-19(26-3)20(27-4)8-12(11)14-7-16(23)13-6-17(24)18(25-2)9-15(13)21(14)22;/h5-10,23H,1-4H3;1H