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

Systemtic Name: 3,3-dimethyl-6-(3-methylbutylsulfanyl)-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-isopentylsulfanyl-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-(3-methylbutylthio)-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-(3-methylbutylsulfanyl)-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(isoamylthio)-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3

Isomeric SMILES

CC(C)CCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3

InChI

InChI=1S/C20H29N3O2S/c1-14(2)5-10-26-19-16(12-21)15-11-20(3,4)25-13-17(15)18(22-19)23-6-8-24-9-7-23/h14H,5-11,13H2,1-4H3/p+1