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

Systemtic Name: [(Z)-[1-methyl-3-(1-phenylbut-3-ynoxymethyl)imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride Openeye Name: [(Z)-[1-methyl-3-(1-phenylbut-3-ynoxymethyl)imidazol-2-ylidene]methyl]-oxo-ammonium chloride CAS Name: [(Z)-[1-methyl-3-(1-phenylbut-3-ynoxymethyl)-2-imidazolylidene]methyl]-oxoammonium chloride IUPAC Name: [(Z)-[1-methyl-3-(1-phenylbut-3-ynoxymethyl)imidazol-2-ylidene]methyl]-oxoazanium chloride Traditional Name: keto-[(Z)-[1-methyl-3-(1-phenylbut-3-ynoxymethyl)-4-imidazolin-2-ylidene]methyl]ammonium chloride Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=C[NH+]=O)COC(CC#C)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CN\1C=CN(/C1=C\[NH+]=O)COC(CC#C)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H17N3O2.ClH/c1-3-7-15(14-8-5-4-6-9-14)21-13-19-11-10-18(2)16(19)12-17-20;/h1,4-6,8-12,15H,7,13H2,2H3;1H/b16-12-;