(NE)-N-[(1-dodecylpyridin-1-ium-3-yl)methylidene]hydroxylamine; methanesulfonate

Systemtic Name: (NE)-N-[(1-dodecylpyridin-1-ium-3-yl)methylidene]hydroxylamine; methanesulfonate Openeye Name: (3E)-1-dodecylpyridin-1-ium-3-carbaldehyde oxime; methanesulfonate CAS Name: (3E)-1-dodecyl-3-pyridin-1-iumcarboxaldehyde oxime; methanesulfonate IUPAC Name: (NE)-N-[(1-dodecylpyridin-1-ium-3-yl)methylidene]hydroxylamine; methanesulfonate Traditional Name: (3E)-1-laurylpyridin-1-ium-3-carbaldehyde oxime mesylate Formula: C19H34N2O4S MolecularWeight: 386.54926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC(=C1)C=NO.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC(=C1)/C=N/O.CS(=O)(=O)[O-]

InChI

InChI=1S/C18H30N2O.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-18(17-20)16-19-21;1-5(2,3)4/h12-13,15-17H,2-11,14H2,1H3;1H3,(H,2,3,4)/b19-16+;