methanesulfonate; 2,3,9-trimethoxy-5-methyl-8-methylsulfanyl-benzo[c]phenanthridin-5-ium

Systemtic Name: methanesulfonate; 2,3,9-trimethoxy-5-methyl-8-methylsulfanyl-benzo[c]phenanthridin-5-ium Openeye Name: methanesulfonate; 2,3,9-trimethoxy-5-methyl-8-methylsulfanyl-benzo[c]phenanthridin-5-ium CAS Name: methanesulfonate; 2,3,9-trimethoxy-5-methyl-8-(methylthio)benzo[c]phenanthridin-5-ium IUPAC Name: methanesulfonate; 2,3,9-trimethoxy-5-methyl-8-methylsulfanylbenzo[c]phenanthridin-5-ium Traditional Name: 2,3,9-trimethoxy-5-methyl-8-(methylthio)benzo[c]phenanthridin-5-ium mesylate Formula: C23H25NO6S2 MolecularWeight: 475.5777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22NO3S.CH4O3S/c1-23-12-14-9-21(27-5)20(26-4)10-16(14)15-7-6-13-8-18(24-2)19(25-3)11-17(13)22(15)23;1-5(2,3)4/h6-12H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1