[(E)-(1-tert-butyl-3-hex-5-ynyl-imidazol-2-ylidene)methyl]-oxidanylidene-azanium chloride

Systemtic Name: [(E)-(1-tert-butyl-3-hex-5-ynyl-imidazol-2-ylidene)methyl]-oxidanylidene-azanium chloride Openeye Name: [(E)-(1-tert-butyl-3-hex-5-ynyl-imidazol-2-ylidene)methyl]-oxo-ammonium chloride CAS Name: [(E)-(1-tert-butyl-3-hex-5-ynyl-2-imidazolylidene)methyl]-oxoammonium chloride IUPAC Name: [(E)-(1-tert-butyl-3-hex-5-ynylimidazol-2-ylidene)methyl]-oxoazanium chloride Traditional Name: [(E)-(1-tert-butyl-3-hex-5-ynyl-4-imidazolin-2-ylidene)methyl]-keto-ammonium chloride Formula: C14H22ClN3O MolecularWeight: 283.79698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CN(C1=C[NH+]=O)CCCCC#C.[Cl-]

Isomeric SMILES

CC(C)(C)N\1C=CN(/C1=C\[NH+]=O)CCCCC#C.[Cl-]

InChI

InChI=1S/C14H21N3O.ClH/c1-5-6-7-8-9-16-10-11-17(14(2,3)4)13(16)12-15-18;/h1,10-12H,6-9H2,2-4H3;1H/b13-12+;