3-(2,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(2,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(2,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(2,7-dimethyl-1-quinolin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(2,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(2,7-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=CC(=[N+]2CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)C=CC(=[N+]2CCCS(=O)(=O)[O-])C

InChI

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