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

Systemtic Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1-sulfonic acid Openeye Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1-sulfonic acid CAS Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-propanesulfonic acid IUPAC Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1-sulfonic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO5S/c1-19-13-8-10-5-6-15-12(4-3-7-21(16,17)18)11(10)9-14(13)20-2/h8-9,12,15H,3-7H2,1-2H3,(H,16,17,18)