3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Openeye Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid CAS Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Traditional Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)CCCS(=O)(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)CCCS(=O)(=O)O)C=C1

InChI

InChI=1S/C13H19NO4S/c1-18-13-4-3-12-10-14(7-5-11(12)9-13)6-2-8-19(15,16)17/h3-4,9H,2,5-8,10H2,1H3,(H,15,16,17)