[(Z)-[1-tert-butyl-3-(but-1-ynoxymethyl)imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride

Systemtic Name: [(Z)-[1-tert-butyl-3-(but-1-ynoxymethyl)imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride Openeye Name: [(Z)-[1-tert-butyl-3-(but-1-ynoxymethyl)imidazol-2-ylidene]methyl]-oxo-ammonium chloride CAS Name: [(Z)-[1-tert-butyl-3-(but-1-ynoxymethyl)-2-imidazolylidene]methyl]-oxoammonium chloride IUPAC Name: [(Z)-[1-tert-butyl-3-(but-1-ynoxymethyl)imidazol-2-ylidene]methyl]-oxoazanium chloride Traditional Name: [(Z)-[1-tert-butyl-3-(but-1-ynoxymethyl)-4-imidazolin-2-ylidene]methyl]-keto-ammonium chloride Formula: C13H20ClN3O2 MolecularWeight: 285.7698

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Descriptors Computed from Structure

Canonical SMILES:

CCC#COCN1C=CN(C1=C[NH+]=O)C(C)(C)C.[Cl-]

Isomeric SMILES

CCC#COCN\1C=CN(/C1=C/[NH+]=O)C(C)(C)C.[Cl-]

InChI

InChI=1S/C13H19N3O2.ClH/c1-5-6-9-18-11-15-7-8-16(13(2,3)4)12(15)10-14-17;/h7-8,10H,5,11H2,1-4H3;1H/b12-10+;