4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butane-1-sulfonic acid Openeye Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butane-1-sulfonic acid CAS Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-butanesulfonic acid IUPAC Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butane-1-sulfonic acid Traditional Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butane-1-sulfonic acid Formula: C15H23NO5S MolecularWeight: 329.41182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CCCCS(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)CCCCS(=O)(=O)O)OC

InChI

InChI=1S/C15H23NO5S/c1-20-14-9-11-6-7-16-13(12(11)10-15(14)21-2)5-3-4-8-22(17,18)19/h9-10,13,16H,3-8H2,1-2H3,(H,17,18,19)