3-isoquinolin-2-ium-2-ylpropane-1-sulfonic acid hydroxide

Systemtic Name: 3-isoquinolin-2-ium-2-ylpropane-1-sulfonic acid hydroxide Openeye Name: 3-isoquinolin-2-ium-2-ylpropane-1-sulfonic acid hydroxide CAS Name: 3-(2-isoquinolin-2-iumyl)-1-propanesulfonic acid hydroxide IUPAC Name: 3-isoquinolin-2-ium-2-ylpropane-1-sulfonic acid hydroxide Traditional Name: 3-isoquinolin-2-ium-2-ylpropane-1-sulfonic acid hydroxide Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCS(=O)(=O)O.[OH-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCS(=O)(=O)O.[OH-]

InChI

InChI=1S/C12H13NO3S.H2O/c14-17(15,16)9-3-7-13-8-6-11-4-1-2-5-12(11)10-13;/h1-2,4-6,8,10H,3,7,9H2;1H2