propyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]ethanoate

Systemtic Name: propyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]ethanoate Openeye Name: propyl 2-[(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetate CAS Name: 2-[[5-cyano-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)thio]acetic acid propyl ester Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3

Isomeric SMILES

CCCOC(=O)CSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3

InChI

InChI=1S/C20H27N3O4S/c1-4-7-26-17(24)13-28-19-15(11-21)14-10-20(2,3)27-12-16(14)18(22-19)23-5-8-25-9-6-23/h4-10,12-13H2,1-3H3/p+1