3-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid hydrate

Systemtic Name: 3-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid hydrate Openeye Name: 3-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid hydrate CAS Name: 3-(6-methoxy-1-quinolin-1-iumyl)-1-propanesulfonic acid hydrate IUPAC Name: 3-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid hydrate Traditional Name: 3-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid hydrate Formula: C13H18NO5S+ MolecularWeight: 300.35072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=CC=C2)CCCS(=O)(=O)O.O

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=CC=C2)CCCS(=O)(=O)O.O

InChI

InChI=1S/C13H15NO4S.H2O/c1-18-12-5-6-13-11(10-12)4-2-7-14(13)8-3-9-19(15,16)17;/h2,4-7,10H,3,8-9H2,1H3;1H2/p+1