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

Systemtic Name: 6-(2-cyanoethylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(2-cyanoethylsulfanyl)-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(2-cyanoethylthio)-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(2-cyanoethylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(2-cyanoethylthio)-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C18H23N4OS2+ MolecularWeight: 375.53142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CS1)N3CCOCC3)SCCC#N)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CS1)N3CCOCC3)SCCC#N)C#N)C

InChI

InChI=1S/C18H22N4OS2/c1-18(2)10-13-14(11-20)17(24-9-3-4-19)21-16(15(13)12-25-18)22-5-7-23-8-6-22/h3,5-10,12H2,1-2H3/p+1