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

Systemtic Name: (2E)-3-hex-5-ynyl-3-(methoxymethyl)-2-(nitrosomethylidene)-1H-imidazol-3-ium Openeye Name: (2E)-3-hex-5-ynyl-3-(methoxymethyl)-2-(nitrosomethylene)-1H-imidazol-3-ium CAS Name: (2E)-3-hex-5-ynyl-3-(methoxymethyl)-2-(nitrosomethylidene)-1H-imidazol-3-ium IUPAC Name: (2E)-3-hex-5-ynyl-3-(methoxymethyl)-2-(nitrosomethylidene)-1H-imidazol-3-ium Traditional Name: (2E)-1-hex-5-ynyl-1-(methoxymethyl)-2-(nitrosomethylene)-4-imidazolin-1-ium Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/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/p+1