1-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-3,3-dimethyl-butan-2-one bromide

Systemtic Name: 1-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-3,3-dimethyl-butan-2-one bromide Openeye Name: 1-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-3,3-dimethyl-butan-2-one bromide CAS Name: 1-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-3,3-dimethyl-2-butanone bromide IUPAC Name: 1-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-3,3-dimethylbutan-2-one bromide Traditional Name: 1-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-3,3-dimethyl-butan-2-one bromide Formula: C14H20BrN3O MolecularWeight: 326.2321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2[N+](=C1N)C.[Br-]

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2[N+](=C1N)C.[Br-]

InChI

InChI=1S/C14H19N3O.BrH/c1-14(2,3)12(18)9-17-11-8-6-5-7-10(11)16(4)13(17)15;/h5-8,15H,9H2,1-4H3;1H