3-(6-chloranyl-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(6-chloranyl-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1-sulfonic acid Openeye Name: 3-(6-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1-sulfonic acid CAS Name: 3-(6-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-propanesulfonic acid IUPAC Name: 3-(6-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(6-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1-sulfonic acid Formula: C12H16ClNO3S MolecularWeight: 289.77834

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=C1C=C(C=C2)Cl)CCCS(=O)(=O)O

Isomeric SMILES

C1CNC(C2=C1C=C(C=C2)Cl)CCCS(=O)(=O)O

InChI

InChI=1S/C12H16ClNO3S/c13-10-3-4-11-9(8-10)5-6-14-12(11)2-1-7-18(15,16)17/h3-4,8,12,14H,1-2,5-7H2,(H,15,16,17)