methyl (2R)-4-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C14H19N4O3S+ MolecularWeight: 323.39066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCSC(C2)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCS[C@H](C2)C(=O)OC)C#N

InChI

InChI=1S/C14H18N4O3S/c1-9-10(2)16-18(13(19)11(9)6-15)8-17-4-5-22-12(7-17)14(20)21-3/h12H,4-5,7-8H2,1-3H3/p+1/t12-/m1/s1