3-(2-methylsulfanylquinolin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-methylsulfanylquinolin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(2-methylsulfanylquinolin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-[2-(methylthio)-1-quinolin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-(2-methylsulfanylquinolin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-[2-(methylthio)quinolin-1-ium-1-yl]propane-1-sulfonic acid Formula: C13H16NO3S2+ MolecularWeight: 298.40104

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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/p+1