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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(NCC2)CCCS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(NCC2)CCCS(=O)(=O)O

InChI

InChI=1S/C13H19NO4S/c1-18-11-4-5-12-10(9-11)6-7-14-13(12)3-2-8-19(15,16)17/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16,17)