1-[3-(dimethylamino)propyl]-1,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-ium-3-carbonitrile; methyl sulfate

Systemtic Name: 1-[3-(dimethylamino)propyl]-1,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-ium-3-carbonitrile; methyl sulfate Openeye Name: 1-[3-(dimethylamino)propyl]-2-hydroxy-1,4-dimethyl-6-oxo-pyridin-1-ium-3-carbonitrile; methyl sulfate CAS Name: 1-[3-(dimethylamino)propyl]-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridin-1-iumcarbonitrile; methyl sulfate IUPAC Name: 1-[3-(dimethylamino)propyl]-2-hydroxy-1,4-dimethyl-6-oxopyridin-1-ium-3-carbonitrile; methyl sulfate Traditional Name: 1-[3-(dimethylamino)propyl]-2-hydroxy-6-keto-1,4-dimethyl-pyridin-1-ium-3-carbonitrile; 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)(C)CCCN(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

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