[2-(4-azanylbutyl)-3,4-dihydro-1H-isoquinolin-7-yl] thiophene-2-sulfonate

Systemtic Name: [2-(4-azanylbutyl)-3,4-dihydro-1H-isoquinolin-7-yl] thiophene-2-sulfonate Openeye Name: [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CS3)CCCCN

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CS3)CCCCN

InChI

InChI=1S/C17H22N2O3S2/c18-8-1-2-9-19-10-7-14-5-6-16(12-15(14)13-19)22-24(20,21)17-4-3-11-23-17/h3-6,11-12H,1-2,7-10,13,18H2