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

Systemtic Name: 6-butylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-butylsulfanyl-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(butylthio)-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-butylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(butylthio)-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C19H28N3OS2+ MolecularWeight: 378.57512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=[NH+]C(=C2CSC(CC2=C1C#N)(C)C)N3CCOCC3

Isomeric SMILES

CCCCSC1=[NH+]C(=C2CSC(CC2=C1C#N)(C)C)N3CCOCC3

InChI

InChI=1S/C19H27N3OS2/c1-4-5-10-24-18-15(12-20)14-11-19(2,3)25-13-16(14)17(21-18)22-6-8-23-9-7-22/h4-11,13H2,1-3H3/p+1