EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:41362 - N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid

ChEBI IDCHEBI:41362
ChEBI NameN-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid
Stars
ASCII NameN-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid
DefinitionA quaternary ammonium ion resulting from the addition of a methyl group to the tertiary amino group of 3-[dodecyl(methyl)amino]propane-1-sulfonic acid.
Last Modified17 May 2021
DownloadsMolfile
FormulaC17H38NO3S
Net Charge+1
Average Mass336.562
Monoisotopic Mass336.25669
SMILESCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O
InChIInChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1
InChIKeyIZWSFJTYBVKZNK-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid (CHEBI:41362) is a quaternary ammonium ion (CHEBI:35267)
N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid (CHEBI:41362) is conjugate acid of lauryl sulfobetaine (CHEBI:75303)
Incoming Relation(s)
lauryl sulfobetaine (CHEBI:75303) is conjugate base of N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid (CHEBI:41362)
IUPAC Name 
N,N-dimethyl-N-(3-sulfopropyl)dodecan-1-aminium
Synonyms  Source
N,N-dimethyl-N-(3-sulfopropyl)-1-dodecanaminiumChEBI
3-(N,N-dimethyldodecylammonio)propanesulfonic acidChEBI
3-(N,N-dimethyllaurylammonio)propanesulfonic acidChEBI
3-(dodecyldimethylammonio)propanesulfonic acidChEBI
3-(lauryldimethylammonio)propanesulfonic acidChEBI
Manual XrefsDatabases
C15PDBeChem
DB02643DrugBank
76414ChemSpider
Citations