1-methyl-3-[(S)-(4-methylphenyl)sulfinyl]pyridin-1-ium; methyl sulfate

Systemtic Name: 1-methyl-3-[(S)-(4-methylphenyl)sulfinyl]pyridin-1-ium; methyl sulfate Openeye Name: 1-methyl-3-[(S)-p-tolylsulfinyl]pyridin-1-ium; methyl sulfate CAS Name: 1-methyl-3-[(S)-(4-methylphenyl)sulfinyl]pyridin-1-ium; methyl sulfate IUPAC Name: 1-methyl-3-[(S)-(4-methylphenyl)sulfinyl]pyridin-1-ium; methyl sulfate Traditional Name: 1-methyl-3-[(S)-p-tolylsulfinyl]pyridin-1-ium; methyl sulfate Formula: C14H17NO5S2 MolecularWeight: 343.41848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2=C[N+](=CC=C2)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)C2=C[N+](=CC=C2)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H14NOS.CH4O4S/c1-11-5-7-12(8-6-11)16(15)13-4-3-9-14(2)10-13;1-5-6(2,3)4/h3-10H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t16-;/m0./s1