(2,3,10-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate chloride

Systemtic Name: (2,3,10-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate chloride Openeye Name: (2,3,10-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate chloride CAS Name: methanesulfonic acid (2,3,10-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) ester chloride IUPAC Name: (2,3,10-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate chloride Traditional Name: methanesulfonic acid (2,3,10-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=C(C3)C(=C(C=C4)OS(=O)(=O)C)OC)OC)OC.[Cl-]

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=C(C3)C(=C(C=C4)OS(=O)(=O)C)OC)OC)OC.[Cl-]

InChI

InChI=1S/C21H22NO6S.ClH/c1-22-11-12-8-18(25-2)19(26-3)10-14(12)15-9-16-13(20(15)22)6-7-17(21(16)27-4)28-29(5,23)24;/h6-8,10-11H,9H2,1-5H3;1H/q+1;/p-1