3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonic acid hydroxide

Systemtic Name: 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonic acid hydroxide Openeye Name: 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonic acid hydroxide CAS Name: 3-(2-methyl-1-quinolin-1-iumyl)-1-propanesulfonic acid hydroxide IUPAC Name: 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonic acid hydroxide Traditional Name: 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonic acid hydroxide Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S.H2O/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;1H2