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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C=CNC2C1C=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCC(C1C=CNC2C1C=CC=C2)S(=O)(=O)O

InChI

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