pentyl 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylbutanoate

Systemtic Name: pentyl 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylbutanoate Openeye Name: pentyl 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylbutanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)thio]butanoic acid pentyl ester IUPAC Name: pentyl 2-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)sulfanylbutanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)thio]butyric acid amyl ester Formula: C17H25N2O2S+ MolecularWeight: 321.4576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CC)SC1=C(C(=CC(=[NH+]1)C)C)C#N

Isomeric SMILES

CCCCCOC(=O)C(CC)SC1=C(C(=CC(=[NH+]1)C)C)C#N

InChI

InChI=1S/C17H24N2O2S/c1-5-7-8-9-21-17(20)15(6-2)22-16-14(11-18)12(3)10-13(4)19-16/h10,15H,5-9H2,1-4H3/p+1