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

Systemtic Name: 3,3-dimethyl-8-morpholin-4-yl-6-propan-2-ylsulfanyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-isopropylsulfanyl-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(4-morpholinyl)-6-(propan-2-ylthio)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-morpholin-4-yl-6-propan-2-ylsulfanyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(isopropylthio)-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C18H26N3OS2+ MolecularWeight: 364.54854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=[NH+]C(=C2CSC(CC2=C1C#N)(C)C)N3CCOCC3

Isomeric SMILES

CC(C)SC1=[NH+]C(=C2CSC(CC2=C1C#N)(C)C)N3CCOCC3

InChI

InChI=1S/C18H25N3OS2/c1-12(2)24-17-14(10-19)13-9-18(3,4)23-11-15(13)16(20-17)21-5-7-22-8-6-21/h12H,5-9,11H2,1-4H3/p+1