ethyl 1-[(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-cyano-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-cyano-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=CC(=C(C2=S)C#N)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=CC(=C(C2=S)C#N)C)C

InChI

InChI=1S/C17H23N3O2S/c1-4-22-17(21)14-5-7-19(8-6-14)11-20-13(3)9-12(2)15(10-18)16(20)23/h9,14H,4-8,11H2,1-3H3/p+1