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

Systemtic Name: (2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate Openeye Name: (2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate CAS Name: methanesulfonic acid (2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) ester IUPAC Name: (2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-yl) methanesulfonate Traditional Name: methanesulfonic acid (2,3,8-trimethoxy-6-methyl-11H-inden[1,2-c]isoquinolin-6-ium-9-yl) ester Formula: C21H22NO6S+ MolecularWeight: 416.46748

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO6S/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/q+1