3-(3-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 3-(3-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)propyl-trimethyl-azanium; methyl sulfate Openeye Name: 3-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridyl)propyl-trimethyl-ammonium; methyl sulfate CAS Name: 3-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propyl-trimethylammonium; methyl sulfate IUPAC Name: 3-(3-cyano-2-hydroxy-4-methyl-6-oxopyridin-1-yl)propyl-trimethylazanium; methyl sulfate Traditional Name: 3-(3-cyano-2-hydroxy-6-keto-4-methyl-1-pyridyl)propyl-trimethyl-ammonium; methyl sulfate Formula: C14H23N3O6S MolecularWeight: 361.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1C#N)O)CCC[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(C(=C1C#N)O)CCC[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H19N3O2.CH4O4S/c1-10-8-12(17)15(13(18)11(10)9-14)6-5-7-16(2,3)4;1-5-6(2,3)4/h8H,5-7H2,1-4H3;1H3,(H,2,3,4)