N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C17H23N3O2S/c1-17(2)8-12-13(9-18)16(23-14(12)11-22-17)19-15(21)10-20-6-4-3-5-7-20/h3-8,10-11H2,1-2H3,(H,19,21)/p+1