3,3-dimethyl-8-morpholin-4-yl-6-phenacylsulfanyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-8-morpholin-4-yl-6-phenacylsulfanyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-8-morpholino-6-phenacylsulfanyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(4-morpholinyl)-6-(phenacylthio)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-morpholin-4-yl-6-phenacylsulfanyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 3,3-dimethyl-8-morpholino-6-(phenacylthio)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H26N3O2S2+ MolecularWeight: 440.60144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CS1)N3CCOCC3)SCC(=O)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CS1)N3CCOCC3)SCC(=O)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C23H25N3O2S2/c1-23(2)12-17-18(13-24)22(29-15-20(27)16-6-4-3-5-7-16)25-21(19(17)14-30-23)26-8-10-28-11-9-26/h3-7H,8-12,14-15H2,1-2H3/p+1