Chemical Component Summary

Name1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium
SynonymsThiazole orange
Identifiers(2~{Z})-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole
FormulaC19 H17 N2 S
Molecular Weight305.417
TypeNON-POLYMER
Isomeric SMILESC[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccccc4S3)C
InChIInChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1
InChIKeyXRXJDLHDDHBJOJ-UHFFFAOYSA-N

Chemical Details

Formal Charge1
Atom Count39
Chiral Atom Count0
Bond Count42
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 123859, 1268073, 853679
ChEMBL CHEMBL4117515
ChEBI CHEBI:52924
CCDC/CSD NIVFEG