1-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 1-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 1-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 1-(6-methoxy-1-quinolin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 1-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 1-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid Formula: C13H16NO4S+ MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

CCC([N+]1=CC=CC2=C1C=CC(=C2)OC)S(=O)(=O)O

Isomeric SMILES

CCC([N+]1=CC=CC2=C1C=CC(=C2)OC)S(=O)(=O)O

InChI

InChI=1S/C13H15NO4S/c1-3-13(19(15,16)17)14-8-4-5-10-9-11(18-2)6-7-12(10)14/h4-9,13H,3H2,1-2H3/p+1