[(Z)-[1-(hept-1-yn-4-yloxymethyl)-3-methyl-imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2.ClH/c1-4-6-12(7-5-2)18-11-16-9-8-15(3)13(16)10-14-17;/h1,8-10,12H,5-7,11H2,2-3H3;1H/b13-10-;