sodium 3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonate

Systemtic Name: sodium 3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonate Openeye Name: sodium 3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonate CAS Name: sodium 3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanesulfonate IUPAC Name: sodium 3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonate Traditional Name: sodium 3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonate Formula: C13H18NNaO4S MolecularWeight: 307.34109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCN(C2)CCCS(=O)(=O)[O-])C=C1.[Na+]

Isomeric SMILES

COC1=CC2=C(CCN(C2)CCCS(=O)(=O)[O-])C=C1.[Na+]

InChI

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