NAVIGATION


TokeOni

Catalog Number
ACMA00016306
Product Name
TokeOni
Category
Other Materials
IUPAC Name
(4S)-2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;hydrochloride
Molecular Weight
338.9g/mol
Molecular Formula
C16H19ClN2O2S
Canonical SMILES
CN(C)C1=CC=C(C=C1)C=CC=CC2=NC(CS2)C(=O)O.Cl
InChI
InChI=1S/C16H18N2O2S.ClH/c1-18(2)13-9-7-12(8-10-13)5-3-4-6-15-17-14(11-21-15)16(19)20;/h3-10,14H,11H2,1-2H3,(H,19,20);1H/b5-3+,6-4+;/t14-;/m1./s1
InChI Key
PZCNKVAGZCXXHX-SSRSOBHISA-N
Complexity
449
Covalently-Bonded Unit Count
2
Exact Mass
338.085577g/mol
Formal Charge
0
Heavy Atom Count
22
Monoisotopic Mass
338.085577g/mol
Rotatable Bond Count
5
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