2-(4,5-dicyclohexyl-3-methyl-imidazol-3-ium-1-yl)ethanenitrile bromide

Systemtic Name: 2-(4,5-dicyclohexyl-3-methyl-imidazol-3-ium-1-yl)ethanenitrile bromide Openeye Name: 2-(4,5-dicyclohexyl-3-methyl-imidazol-3-ium-1-yl)acetonitrile bromide CAS Name: 2-(4,5-dicyclohexyl-3-methyl-1-imidazol-3-iumyl)acetonitrile bromide IUPAC Name: 2-(4,5-dicyclohexyl-3-methylimidazol-3-ium-1-yl)acetonitrile bromide Traditional Name: 2-(4,5-dicyclohexyl-3-methyl-imidazol-3-ium-1-yl)acetonitrile bromide Formula: C18H28BrN3 MolecularWeight: 366.33902

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C(=C1C2CCCCC2)C3CCCCC3)CC#N.[Br-]

Isomeric SMILES

C[N+]1=CN(C(=C1C2CCCCC2)C3CCCCC3)CC#N.[Br-]

InChI

InChI=1S/C18H28N3.BrH/c1-20-14-21(13-12-19)18(16-10-6-3-7-11-16)17(20)15-8-4-2-5-9-15;/h14-16H,2-11,13H2,1H3;1H/q+1;/p-1