[(E)-[3-(cycloheptyloxymethyl)-1-methyl-1H-imidazol-1-ium-2-ylidene]methyl]-oxidanylidene-azanium chloride

Systemtic Name: [(E)-[3-(cycloheptyloxymethyl)-1-methyl-1H-imidazol-1-ium-2-ylidene]methyl]-oxidanylidene-azanium chloride Openeye Name: [(E)-[3-(cycloheptoxymethyl)-1-methyl-1H-imidazol-1-ium-2-ylidene]methyl]-oxo-ammonium chloride CAS Name: [(E)-[3-(cycloheptyloxymethyl)-1-methyl-1H-imidazol-1-ium-2-ylidene]methyl]-oxoammonium chloride IUPAC Name: [(E)-[3-(cycloheptyloxymethyl)-1-methyl-1H-imidazol-1-ium-2-ylidene]methyl]-oxoazanium chloride Traditional Name: [(E)-[1-(cycloheptoxymethyl)-3-methyl-4-imidazolin-3-ium-2-ylidene]methyl]-keto-ammonium chloride Formula: C13H23ClN3O2+ MolecularWeight: 288.79362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=CN(C1=C[NH+]=O)COC2CCCCCC2.[Cl-]

Isomeric SMILES

C[NH+]\1C=CN(/C1=C\[NH+]=O)COC2CCCCCC2.[Cl-]

InChI

InChI=1S/C13H21N3O2.ClH/c1-15-8-9-16(13(15)10-14-17)11-18-12-6-4-2-3-5-7-12;/h8-10,12H,2-7,11H2,1H3;1H/p+1/b13-10-;