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

Systemtic Name: 1-[2-azanyl-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3,3-dimethyl-butan-2-one bromide Openeye Name: 1-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3,3-dimethyl-butan-2-one bromide CAS Name: 1-[2-amino-3-[(2-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-3,3-dimethyl-2-butanone bromide IUPAC Name: 1-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3,3-dimethylbutan-2-one bromide Traditional Name: 1-[2-amino-3-(2-chlorobenzyl)benzimidazol-3-ium-1-yl]-3,3-dimethyl-butan-2-one bromide Formula: C20H23BrClN3O MolecularWeight: 436.77312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3Cl.[Br-]

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3Cl.[Br-]

InChI

InChI=1S/C20H22ClN3O.BrH/c1-20(2,3)18(25)13-24-17-11-7-6-10-16(17)23(19(24)22)12-14-8-4-5-9-15(14)21;/h4-11,22H,12-13H2,1-3H3;1H