2-[(3,3-dimethyl-8-morpholin-4-yl-5-oxidanyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(3,3-dimethyl-8-morpholin-4-yl-5-oxidanyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(5-hydroxy-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-hydroxy-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]thio]-1-phenylethanone IUPAC Name: 2-[(5-hydroxy-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(5-hydroxy-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)thio]-1-phenyl-ethanone Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=[NH+]C(=C2O)SCC(=O)C3=CC=CC=C3)N4CCOCC4)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=[NH+]C(=C2O)SCC(=O)C3=CC=CC=C3)N4CCOCC4)C

InChI

InChI=1S/C22H26N2O4S/c1-22(2)12-16-17(13-28-22)20(24-8-10-27-11-9-24)23-21(19(16)26)29-14-18(25)15-6-4-3-5-7-15/h3-7,26H,8-14H2,1-2H3/p+1