EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:104145 - methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]acetate

ChEBI IDCHEBI:104145
ChEBI Namemethyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]acetate
Stars
DownloadsMolfile
FormulaC20H21N2O2
Net Charge+1
Average Mass321.400
Monoisotopic Mass321.15975
SMILESCOC(=O)Cn1c(C)c(C=Cc2cc[n+](C)cc2)c2ccccc21
InChIInChI=1S/C20H21N2O2/c1-15-17(9-8-16-10-12-21(2)13-11-16)18-6-4-5-7-19(18)22(15)14-20(23)24-3/h4-13H,14H2,1-3H3/q+1
InChIKeyLRTXUKRRTLYVBH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]acetate (CHEBI:104145) is a α-amino acid ester (CHEBI:46874)
Manual XrefsDatabases
LSM-15504LINCS