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

Systemtic Name: [(1-methyl-4-oxidanylidene-6,7-dihydro-5H-indol-5-yl)-(1-methylpyridin-1-ium-3-yl)methyl] methanesulfonate Openeye Name: [(1-methyl-4-oxo-6,7-dihydro-5H-indol-5-yl)-(1-methylpyridin-1-ium-3-yl)methyl] methanesulfonate CAS Name: methanesulfonic acid [(1-methyl-4-oxo-6,7-dihydro-5H-indol-5-yl)-(1-methyl-3-pyridin-1-iumyl)methyl] ester IUPAC Name: [(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 Formula: C17H21N2O4S+ MolecularWeight: 349.42464

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N2O4S/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/h4-5,8-11,14,17H,6-7H2,1-3H3/q+1