propan-2-yl 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylpropanoate

Systemtic Name: propan-2-yl 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylpropanoate Openeye Name: isopropyl 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylpropanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)thio]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)thio]propionic acid isopropyl ester Formula: C14H19N2O2S+ MolecularWeight: 279.37786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SC(C)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SC(C)C(=O)OC(C)C)C

InChI

InChI=1S/C14H18N2O2S/c1-8(2)18-14(17)11(5)19-13-12(7-15)9(3)6-10(4)16-13/h6,8,11H,1-5H3/p+1