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CHEBI:233675 - 3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium

Default Structure
ChEBI IDCHEBI:233675
ChEBI Name3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium
Stars
ASCII Name3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium
DefinitionAn iminium ion that is the conjugate acid of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone resulting from the protonation of the imine group; major species at pH 7.3.
Last Modified14 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC16H19N2OS
Net Charge+1
Average Mass287.408
Monoisotopic Mass287.12126
SMILESCc1ccc(C(=O)Cn2c3c(sc2=[NH2+])CCCC3)cc1
InChIInChI=1S/C16H18N2OS/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17/h6-9,17H,2-5,10H2,1H3/p+1
InChIKeyOLTZHXYLLRJLST-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium (CHEBI:233675) is a iminium ion (CHEBI:35286)
3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium (CHEBI:233675) is conjugate acid of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone (CHEBI:93168)
Incoming Relation(s)
pifithrin-α hydrobromide (CHEBI:229924) has part 3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium (CHEBI:233675)
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone (CHEBI:93168) is conjugate base of 3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium (CHEBI:233675)
IUPAC Name 
3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium