methyl (5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanylmethanoate

Systemtic Name: methyl (5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanylmethanoate Openeye Name: methyl (5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanylformate CAS Name: [[5-cyano-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]thio]formic acid methyl ester IUPAC Name: methyl (5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanylformate Traditional Name: [(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)thio]formic acid methyl ester Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SC(=O)OC)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SC(=O)OC)C#N)C

InChI

InChI=1S/C17H21N3O4S/c1-17(2)8-11-12(9-18)15(25-16(21)22-3)19-14(13(11)10-24-17)20-4-6-23-7-5-20/h4-8,10H2,1-3H3/p+1