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CHEBI:103903 - 4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester

Default Structure
ChEBI IDCHEBI:103903
ChEBI Name4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC23H25N2O3S
Net Charge+1
Average Mass409.531
Monoisotopic Mass409.15804
SMILESCCOC(=O)c1c(NC(=O)C[n+]2ccc(Cc3ccccc3)cc2)sc(C)c1C
InChIInChI=1S/C23H24N2O3S/c1-4-28-23(27)21-16(2)17(3)29-22(21)24-20(26)15-25-12-10-19(11-13-25)14-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3/p+1
InChIKeyYBDWDRXHWHCSJW-UHFFFAOYSA-O
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:103903) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-15256LINCS