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CHEBI:42151 - 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE

Default Structure
ChEBI IDCHEBI:42151
ChEBI Name3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC12H19NO3S
Net Charge0
Average Mass257.355
Monoisotopic Mass257.10856
SMILES[H]c1c([H])c([H])c(C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])S(=O)(=O)[O-])c([H])c1[H]
InChIInChI=1S/C12H19NO3S/c1-13(2,9-6-10-17(14,15)16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyMEJASPJNLSQOAG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE (CHEBI:42151) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[benzyl(dimethyl)ammonio]propane-1-sulfonatePDBeChem
3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATEPDBeChem
Manual XrefsDatabases
DMXPDBeChem