3-(7-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(7-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(7-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(7-methoxy-1-quinolin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(7-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(7-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid Formula: C13H16NO4S+ MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CC=[N+]2CCCS(=O)(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(C=CC=[N+]2CCCS(=O)(=O)O)C=C1

InChI

InChI=1S/C13H15NO4S/c1-18-12-6-5-11-4-2-7-14(13(11)10-12)8-3-9-19(15,16)17/h2,4-7,10H,3,8-9H2,1H3/p+1