3-(8-oxidanylquinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(8-oxidanylquinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(8-hydroxyquinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(8-hydroxy-1-quinolin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(8-hydroxyquinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(8-hydroxyquinolin-1-ium-1-yl)propane-1-sulfonate Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)[N+](=CC=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)O)[N+](=CC=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H13NO4S/c14-11-6-1-4-10-5-2-7-13(12(10)11)8-3-9-18(15,16)17/h1-2,4-7H,3,8-9H2,(H-,14,15,16,17)