3-quinolin-1-ium-1-yloxypropane-1-sulfonic acid hydroxide

Systemtic Name: 3-quinolin-1-ium-1-yloxypropane-1-sulfonic acid hydroxide Openeye Name: 3-quinolin-1-ium-1-yloxypropane-1-sulfonic acid hydroxide CAS Name: 3-(1-quinolin-1-iumyloxy)-1-propanesulfonic acid hydroxide IUPAC Name: 3-quinolin-1-ium-1-yloxypropane-1-sulfonic acid hydroxide Traditional Name: 3-quinolin-1-ium-1-yloxypropane-1-sulfonic acid hydroxide Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2OCCCS(=O)(=O)O.[OH-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2OCCCS(=O)(=O)O.[OH-]

InChI

InChI=1S/C12H13NO4S.H2O/c14-18(15,16)10-4-9-17-13-8-3-6-11-5-1-2-7-12(11)13;/h1-3,5-8H,4,9-10H2;1H2