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

Systemtic Name: methanesulfonate; 2,3,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium Openeye Name: methanesulfonate; 2,3,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium CAS Name: methanesulfonate; 2,3,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium IUPAC Name: methanesulfonate; 2,3,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium Traditional Name: 2,3,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium mesylate Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C3C=C(C=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C(=C3C=C(C=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H20NO3.CH4O3S/c1-22-12-14-5-7-15(23-2)10-17(14)16-8-6-13-9-19(24-3)20(25-4)11-18(13)21(16)22;1-5(2,3)4/h5-12H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1