3-(2-methylsulfanylquinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(2-methylsulfanylquinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(2-methylsulfanylquinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-[2-(methylthio)-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-(2-methylsulfanylquinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-[2-(methylthio)quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C2=CC=CC=C2C=C1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CSC1=[N+](C2=CC=CC=C2C=C1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H15NO3S2/c1-18-13-8-7-11-5-2-3-6-12(11)14(13)9-4-10-19(15,16)17/h2-3,5-8H,4,9-10H2,1H3