3-(4,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(4,7-dimethyl-1-quinolin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(4,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate Formula: C14H17NO3S MolecularWeight: 279.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=CC(=C2C=C1)C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=[N+](C=CC(=C2C=C1)C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C14H17NO3S/c1-11-4-5-13-12(2)6-8-15(14(13)10-11)7-3-9-19(16,17)18/h4-6,8,10H,3,7,9H2,1-2H3