3-(4-methyl-7-oxidanylidene-6H-quinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4-methyl-7-oxidanylidene-6H-quinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4-methyl-7-oxo-6H-quinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(4-methyl-7-oxo-6H-quinolin-1-ium-1-yl)-1-propanesulfonate IUPAC Name: 3-(4-methyl-7-oxo-6H-quinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(7-keto-4-methyl-6H-quinolin-1-ium-1-yl)propane-1-sulfonate Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C2=CC(=O)CC=C12)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C2=CC(=O)CC=C12)CCCS(=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/h4-5,7,9H,2-3,6,8H2,1H3