3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Openeye Name: 3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid CAS Name: 3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Traditional Name: 3-(8-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=CC=CC2=C1CN(CC2)CCCS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC2=C1CN(CC2)CCCS(=O)(=O)O

InChI

InChI=1S/C13H19NO4S/c1-18-13-5-2-4-11-6-8-14(10-12(11)13)7-3-9-19(15,16)17/h2,4-5H,3,6-10H2,1H3,(H,15,16,17)