methanesulfonate; 11-(methoxymethyl)-4-methyl-12H-benzo[b][1,7]phenanthrolin-4-ium-10-one

Systemtic Name: methanesulfonate; 11-(methoxymethyl)-4-methyl-12H-benzo[b][1,7]phenanthrolin-4-ium-10-one Openeye Name: methanesulfonate; 11-(methoxymethyl)-4-methyl-12H-benzo[b][1,7]phenanthrolin-4-ium-10-one CAS Name: methanesulfonate; 11-(methoxymethyl)-4-methyl-12H-benzo[b][1,7]phenanthrolin-4-ium-10-one IUPAC Name: methanesulfonate; 11-(methoxymethyl)-4-methyl-12H-benzo[b][1,7]phenanthrolin-4-ium-10-one Traditional Name: 11-(methoxymethyl)-4-methyl-12H-benzo[b][1,7]phenanthrolin-4-ium-10-one mesylate Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=CC3=C2NC4=C(C(=O)C=CC4=C3)COC.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=CC3=C2NC4=C(C(=O)C=CC4=C3)COC.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H16N2O2.CH4O3S/c1-21-9-3-4-14-16(21)7-5-12-10-13-6-8-17(22)15(11-23-2)19(13)20-18(12)14;1-5(2,3)4/h3-10H,11H2,1-2H3;1H3,(H,2,3,4)