4-(dimethylamino)-2-methyl-4-oxidanyl-pent-1-en-3-one sulfate

Systemtic Name: 4-(dimethylamino)-2-methyl-4-oxidanyl-pent-1-en-3-one sulfate Openeye Name: 4-(dimethylamino)-4-hydroxy-2-methyl-pent-1-en-3-one sulfate CAS Name: 4-(dimethylamino)-4-hydroxy-2-methyl-1-penten-3-one sulfate IUPAC Name: 4-(dimethylamino)-4-hydroxy-2-methylpent-1-en-3-one sulfate Traditional Name: 4-(dimethylamino)-4-hydroxy-2-methyl-pent-1-en-3-one sulfate Formula: C8H15NO6S-2 MolecularWeight: 253.2728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)C(C)(N(C)C)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(=C)C(=O)C(C)(N(C)C)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H15NO2.H2O4S/c1-6(2)7(10)8(3,11)9(4)5;1-5(2,3)4/h11H,1H2,2-5H3;(H2,1,2,3,4)/p-2