3,3-dimethyl-8-morpholin-4-yl-6-(2-oxidanylideneheptylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-8-morpholin-4-yl-6-(2-oxidanylideneheptylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-8-morpholino-6-(2-oxoheptylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(4-morpholinyl)-6-(2-oxoheptylthio)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-morpholin-4-yl-6-(2-oxoheptylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(2-ketoheptylthio)-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C22H32N3O3S+ MolecularWeight: 418.57278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3

Isomeric SMILES

CCCCCC(=O)CSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3

InChI

InChI=1S/C22H31N3O3S/c1-4-5-6-7-16(26)15-29-21-18(13-23)17-12-22(2,3)28-14-19(17)20(24-21)25-8-10-27-11-9-25/h4-12,14-15H2,1-3H3/p+1