(2E)-3-hex-5-ynyl-3-(methoxymethyl)-2-(nitrosomethylidene)-1H-imidazol-3-ium chloride

Systemtic Name: (2E)-3-hex-5-ynyl-3-(methoxymethyl)-2-(nitrosomethylidene)-1H-imidazol-3-ium chloride Openeye Name: (2E)-3-hex-5-ynyl-3-(methoxymethyl)-2-(nitrosomethylene)-1H-imidazol-3-ium chloride CAS Name: (2E)-3-hex-5-ynyl-3-(methoxymethyl)-2-(nitrosomethylidene)-1H-imidazol-3-ium chloride IUPAC Name: (2E)-3-hex-5-ynyl-3-(methoxymethyl)-2-(nitrosomethylidene)-1H-imidazol-3-ium chloride Traditional Name: (2E)-1-hex-5-ynyl-1-(methoxymethyl)-2-(nitrosomethylene)-4-imidazolin-1-ium chloride Formula: C12H18ClN3O2 MolecularWeight: 271.74322

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Descriptors Computed from Structure

Canonical SMILES:

COC[N+]1(C=CNC1=CN=O)CCCCC#C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2.ClH/c1-3-4-5-6-8-15(11-17-2)9-7-13-12(15)10-14-16;/h1,7,9-10H,4-6,8,11H2,2H3;1H