[(E)-[1-(butanoyloxymethyl)-3-methyl-imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride

Systemtic Name: [(E)-[1-(butanoyloxymethyl)-3-methyl-imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride Openeye Name: [(E)-[1-(butanoyloxymethyl)-3-methyl-imidazol-2-ylidene]methyl]-oxo-ammonium chloride CAS Name: [(E)-[1-methyl-3-(1-oxobutoxymethyl)-2-imidazolylidene]methyl]-oxoammonium chloride IUPAC Name: [(E)-[1-(butanoyloxymethyl)-3-methylimidazol-2-ylidene]methyl]-oxoazanium chloride Traditional Name: [(E)-[1-(butyryloxymethyl)-3-methyl-4-imidazolin-2-ylidene]methyl]-keto-ammonium chloride Formula: C10H16ClN3O3 MolecularWeight: 261.70534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCN1C=CN(C1=C[NH+]=O)C.[Cl-]

Isomeric SMILES

CCCC(=O)OCN\1C=CN(/C1=C\[NH+]=O)C.[Cl-]

InChI

InChI=1S/C10H15N3O3.ClH/c1-3-4-10(14)16-8-13-6-5-12(2)9(13)7-11-15;/h5-7H,3-4,8H2,1-2H3;1H/b9-7+;