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Structure

2-[[3-(2-Carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]-1-ethylquinolinium iodide

CAS
50378-82-0
Catalog Number
ACM50378820
Category
Other Products
Molecular Weight
504.383810 [g/mol]
Molecular Formula
C22H21IN2O2S

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Specification

Synonyms
EINECS 256-565-0, CID6452202, 2-((3-(2-Carboxyethyl)-3H-benzothiazol-2-ylidene)methyl)-1-ethylquinolinium iodide, 50378-82-0
IUPAC Name
3-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propanoic acid iodide
Canonical SMILES
CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CCC(=O)O.[I-]
InChI Key
MLKLIWREVBOCRN-UHFFFAOYSA-N
EC Number
256-565-0
Exact Mass
504.03700
H-Bond Acceptor
4
H-Bond Donor
1
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