ethyl 3-[5-cyano-2,4-dimethyl-6-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[5-cyano-2,4-dimethyl-6-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyridin-3-yl]propanoate Openeye Name: ethyl 3-[5-cyano-2,4-dimethyl-6-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-3-pyridyl]propanoate CAS Name: 3-[5-cyano-2,4-dimethyl-6-[2-(1-pyrrolidin-1-iumyl)ethylthio]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-cyano-2,4-dimethyl-6-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyridin-3-yl]propanoate Traditional Name: 3-[5-cyano-2,4-dimethyl-6-(2-pyrrolidin-1-ium-1-ylethylthio)-3-pyridyl]propionic acid ethyl ester Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCC[NH+]2CCCC2)C

Isomeric SMILES

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCC[NH+]2CCCC2)C

InChI

InChI=1S/C19H27N3O2S/c1-4-24-18(23)8-7-16-14(2)17(13-20)19(21-15(16)3)25-12-11-22-9-5-6-10-22/h4-12H2,1-3H3/p+1