(2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate chloride

Systemtic Name: (2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate chloride Openeye Name: (2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate chloride CAS Name: methanesulfonic acid (2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) ester chloride IUPAC Name: (2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate chloride Traditional Name: methanesulfonic acid (2,3,8-trimethoxy-6-methyl-11H-inden[1,2-c]isoquinolin-6-ium-9-yl) ester chloride Formula: C21H22ClNO6S MolecularWeight: 451.92048

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C3)OS(=O)(=O)C)OC)OC)OC.[Cl-]

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C3)OS(=O)(=O)C)OC)OC)OC.[Cl-]

InChI

InChI=1S/C21H22NO6S.ClH/c1-22-11-13-8-17(25-2)18(26-3)9-14(13)16-6-12-7-20(28-29(5,23)24)19(27-4)10-15(12)21(16)22;/h7-11H,6H2,1-5H3;1H/q+1;/p-1