methanesulfonate; [(1-methyl-4-oxidanylidene-6,7-dihydro-5H-indol-5-yl)-(1-methylpyridin-1-ium-3-yl)methyl] methanesulfonate

Systemtic Name: methanesulfonate; [(1-methyl-4-oxidanylidene-6,7-dihydro-5H-indol-5-yl)-(1-methylpyridin-1-ium-3-yl)methyl] methanesulfonate Openeye Name: methanesulfonate; [(1-methyl-4-oxo-6,7-dihydro-5H-indol-5-yl)-(1-methylpyridin-1-ium-3-yl)methyl] methanesulfonate CAS Name: methanesulfonate; methanesulfonic acid [(1-methyl-4-oxo-6,7-dihydro-5H-indol-5-yl)-(1-methyl-3-pyridin-1-iumyl)methyl] ester IUPAC Name: methanesulfonate; [(1-methyl-4-oxo-6,7-dihydro-5H-indol-5-yl)-(1-methylpyridin-1-ium-3-yl)methyl] methanesulfonate Traditional Name: methanesulfonic acid [(4-keto-1-methyl-6,7-dihydro-5H-indol-5-yl)-(1-methylpyridin-1-ium-3-yl)methyl] ester mesylate Formula: C18H24N2O7S2 MolecularWeight: 444.52236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1CCC(C2=O)C(C3=C[N+](=CC=C3)C)OS(=O)(=O)C.CS(=O)(=O)[O-]

Isomeric SMILES

CN1C=CC2=C1CCC(C2=O)C(C3=C[N+](=CC=C3)C)OS(=O)(=O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H21N2O4S.CH4O3S/c1-18-9-4-5-12(11-18)17(23-24(3,21)22)14-6-7-15-13(16(14)20)8-10-19(15)2;1-5(2,3)4/h4-5,8-11,14,17H,6-7H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1