8,9-dimethoxybenzo[c]phenanthridine; 8,9-dimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; methanesulfonate

Systemtic Name: 8,9-dimethoxybenzo[c]phenanthridine; 8,9-dimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; methanesulfonate Openeye Name: 8,9-dimethoxybenzo[c]phenanthridine; 8,9-dimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; methanesulfonate CAS Name: 8,9-dimethoxybenzo[c]phenanthridine; 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-5-ium; methanesulfonate IUPAC Name: 8,9-dimethoxybenzo[c]phenanthridine; 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-5-ium; methanesulfonate Traditional Name: 8,9-dimethoxybenzo[c]phenanthridine; 8,9-dimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; mesylate Formula: C40H36N2O7S MolecularWeight: 688.78804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC=CC=C4C=C3)OC)OC.COC1=C(C=C2C3=C(C4=CC=CC=C4C=C3)N=CC2=C1)OC.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC=CC=C4C=C3)OC)OC.COC1=C(C=C2C3=C(C4=CC=CC=C4C=C3)N=CC2=C1)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H18NO2.C19H15NO2.CH4O3S/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;1-21-17-9-13-11-20-19-14-6-4-3-5-12(14)7-8-15(19)16(13)10-18(17)22-2;1-5(2,3)4/h4-12H,1-3H3;3-11H,1-2H3;1H3,(H,2,3,4)/q+1;;/p-1