2-(3-Sulphopropyl)Isoquinolinium Hydroxide
[CAS# 15589-64-7]

Identification

• Name: 2-(3-Sulphopropyl)Isoquinolinium Hydroxide
• Synonyms: 3-(2-Isoquinolin-2-Iumyl)Propane-1-Sulfonate; Isoquinolinium, 2-(3-Sulfopropyl)-, Hydroxide, Inner Salt
• Molecular Formula: C₁₂H₁₃NO₃S
• Molecular Weight: 251.30
• CAS Registry Number: 15589-64-7
• EINECS: 239-652-8
• SMILES: C1=C2C(=CC=[N+]1CCC[S](=O)(=O)[O-])C=CC=C2
• InChI: 1S/C12H13NO3S/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
• InChIKey: TZOTUGCLLXKSEG-UHFFFAOYSA-N