N-(3-cyanothiophen-2-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=C(C=CS2)C#N)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=C(C=CS2)C#N)C

InChI

InChI=1S/C14H19N3OS/c1-10-5-11(2)8-17(7-10)9-13(18)16-14-12(6-15)3-4-19-14/h3-4,10-11H,5,7-9H2,1-2H3,(H,16,18)/p+1/t10-,11+