8,9-dimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; methyl sulfate

Systemtic Name: 8,9-dimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; methyl sulfate Openeye Name: 8,9-dimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; methyl sulfate CAS Name: 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-5-ium; methyl sulfate IUPAC Name: 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-5-ium; methyl sulfate Traditional Name: 8,9-dimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; methyl sulfate Formula: C21H21NO6S MolecularWeight: 415.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC=CC=C4C=C3)OC)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC=CC=C4C=C3)OC)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H18NO2.CH4O4S/c1-21-12-14-10-18(22-2)19(23-3)11-17(14)16-9-8-13-6-4-5-7-15(13)20(16)21;1-5-6(2,3)4/h4-12H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1