(NE)-N-[2-methyl-2-(1-methylazepan-1-ium-1-yl)propylidene]hydroxylamine; methyl sulfate

Systemtic Name: (NE)-N-[2-methyl-2-(1-methylazepan-1-ium-1-yl)propylidene]hydroxylamine; methyl sulfate Openeye Name: (1E)-2-methyl-2-(1-methylazepan-1-ium-1-yl)propanal oxime; methyl sulfate CAS Name: (1E)-2-methyl-2-(1-methyl-1-azepan-1-iumyl)propanal oxime; methyl sulfate IUPAC Name: (NE)-N-[2-methyl-2-(1-methylazepan-1-ium-1-yl)propylidene]hydroxylamine; methyl sulfate Traditional Name: (1E)-2-methyl-2-(1-methylazepan-1-ium-1-yl)propionaldoxime; methyl sulfate Formula: C12H26N2O5S MolecularWeight: 310.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=NO)[N+]1(CCCCCC1)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(/C=N/O)[N+]1(CCCCCC1)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H22N2O.CH4O4S/c1-11(2,10-12-14)13(3)8-6-4-5-7-9-13;1-5-6(2,3)4/h10H,4-9H2,1-3H3;1H3,(H,2,3,4)/b12-10+;