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ethyl 2-(3-cyano-6-ethyl-5-methyl-pyridin-1-ium-2-yl)sulfanylpropanoate

ethyl 2-(3-cyano-6-ethyl-5-methyl-pyridin-1-ium-2-yl)sulfanylpropanoate

Systemtic Name:ethyl 2-(3-cyano-6-ethyl-5-methyl-pyridin-1-ium-2-yl)sulfanylpropanoate
Openeye Name:ethyl 2-(3-cyano-6-ethyl-5-methyl-pyridin-1-ium-2-yl)sulfanylpropanoate
CAS Name:2-[(3-cyano-6-ethyl-5-methyl-2-pyridin-1-iumyl)thio]propanoic acid ethyl ester
IUPAC Name:ethyl 2-(3-cyano-6-ethyl-5-methylpyridin-1-ium-2-yl)sulfanylpropanoate
Traditional Name:2-[(3-cyano-6-ethyl-5-methyl-pyridin-1-ium-2-yl)thio]propionic acid ethyl ester
Formula: C14H19N2O2S+
MolecularWeight: 279.37786
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=[NH+]1)SC(C)C(=O)OCC)C#N)C


Isomeric SMILES

CCC1=C(C=C(C(=[NH+]1)SC(C)C(=O)OCC)C#N)C


InChI

InChI=1S/C14H18N2O2S/c1-5-12-9(3)7-11(8-15)13(16-12)19-10(4)14(17)18-6-2/h7,10H,5-6H2,1-4H3/p+1


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