3-(4-methyl-7-oxidanyl-quinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4-methyl-7-oxidanyl-quinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(7-hydroxy-4-methyl-quinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(7-hydroxy-4-methyl-1-quinolin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(7-hydroxy-4-methylquinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(7-hydroxy-4-methyl-quinolin-1-ium-1-yl)propane-1-sulfonate Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c1-10-5-7-14(6-2-8-19(16,17)18)13-9-11(15)3-4-12(10)13/h3-5,7,9H,2,6,8H2,1H3,(H,16,17,18)