3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(2-methyl-1-quinolin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H15NO3S/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-18(15,16)17/h2-3,5-8H,4,9-10H2,1H3