6-(1H-benzimidazol-2-ylmethylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 6-(1H-benzimidazol-2-ylmethylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(1H-benzimidazol-2-ylmethylsulfanyl)-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(1H-benzimidazol-2-ylmethylthio)-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(1H-benzimidazol-2-ylmethylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(1H-benzimidazol-2-ylmethylthio)-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H26N5O2S+ MolecularWeight: 436.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SCC4=NC5=CC=CC=C5N4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SCC4=NC5=CC=CC=C5N4)C#N)C

InChI

InChI=1S/C23H25N5O2S/c1-23(2)11-15-16(12-24)22(31-14-20-25-18-5-3-4-6-19(18)26-20)27-21(17(15)13-30-23)28-7-9-29-10-8-28/h3-6H,7-11,13-14H2,1-2H3,(H,25,26)/p+1