cyanomethyl-dimethyl-(3-methyl-1-oxidanyl-but-3-en-2-yl)azanium bromide

Systemtic Name: cyanomethyl-dimethyl-(3-methyl-1-oxidanyl-but-3-en-2-yl)azanium bromide Openeye Name: cyanomethyl-[1-(hydroxymethyl)-2-methyl-allyl]-dimethyl-ammonium bromide CAS Name: cyanomethyl-(1-hydroxy-3-methylbut-3-en-2-yl)-dimethylammonium bromide IUPAC Name: cyanomethyl-(1-hydroxy-3-methylbut-3-en-2-yl)-dimethylazanium bromide Traditional Name: cyanomethyl-dimethyl-(2-methyl-1-methylol-allyl)ammonium bromide Formula: C9H17BrN2O MolecularWeight: 249.14808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CO)[N+](C)(C)CC#N.[Br-]

Isomeric SMILES

CC(=C)C(CO)[N+](C)(C)CC#N.[Br-]

InChI

InChI=1S/C9H17N2O.BrH/c1-8(2)9(7-12)11(3,4)6-5-10;/h9,12H,1,6-7H2,2-4H3;1H/q+1;/p-1