1-(1,4,4a,8a-tetrahydroquinolin-2-yl)propane-1-sulfonic acid

Systemtic Name: 1-(1,4,4a,8a-tetrahydroquinolin-2-yl)propane-1-sulfonic acid Openeye Name: 1-(1,4,4a,8a-tetrahydroquinolin-2-yl)propane-1-sulfonic acid CAS Name: 1-(1,4,4a,8a-tetrahydroquinolin-2-yl)-1-propanesulfonic acid IUPAC Name: 1-(1,4,4a,8a-tetrahydroquinolin-2-yl)propane-1-sulfonic acid Traditional Name: 1-(1,4,4a,8a-tetrahydroquinolin-2-yl)propane-1-sulfonic acid Formula: C12H17NO3S MolecularWeight: 255.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CCC2C=CC=CC2N1)S(=O)(=O)O

Isomeric SMILES

CCC(C1=CCC2C=CC=CC2N1)S(=O)(=O)O

InChI

InChI=1S/C12H17NO3S/c1-2-12(17(14,15)16)11-8-7-9-5-3-4-6-10(9)13-11/h3-6,8-10,12-13H,2,7H2,1H3,(H,14,15,16)