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

Systemtic Name: 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenoxyethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-8-morpholino-6-(2-phenoxyethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(4-morpholinyl)-6-(2-phenoxyethylthio)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenoxyethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 3,3-dimethyl-8-morpholino-6-(2-phenoxyethylthio)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SCCOC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SCCOC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C23H27N3O3S/c1-23(2)14-18-19(15-24)22(30-13-12-28-17-6-4-3-5-7-17)25-21(20(18)16-29-23)26-8-10-27-11-9-26/h3-7H,8-14,16H2,1-2H3/p+1