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

Systemtic Name: 3,3-dimethyl-8-morpholin-4-yl-6-pentylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-8-morpholino-6-pentylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(4-morpholinyl)-6-(pentylthio)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-morpholin-4-yl-6-pentylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(amylthio)-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:

CCCCCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3

Isomeric SMILES

CCCCCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3

InChI

InChI=1S/C20H29N3O2S/c1-4-5-6-11-26-19-16(13-21)15-12-20(2,3)25-14-17(15)18(22-19)23-7-9-24-10-8-23/h4-12,14H2,1-3H3/p+1