3,3-dimethyl-1-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]butan-2-one hydrobromide

Systemtic Name: 3,3-dimethyl-1-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]butan-2-one hydrobromide Openeye Name: 1-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3,3-dimethyl-butan-2-one hydrobromide CAS Name: 1-[2-(3-hydroxypropylamino)-1-benzimidazolyl]-3,3-dimethyl-2-butanone hydrobromide IUPAC Name: 1-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3,3-dimethylbutan-2-one hydrobromide Traditional Name: 1-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3,3-dimethyl-butan-2-one hydrobromide Formula: C16H24BrN3O2 MolecularWeight: 370.28466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N=C1NCCCO.Br

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N=C1NCCCO.Br

InChI

InChI=1S/C16H23N3O2.BrH/c1-16(2,3)14(21)11-19-13-8-5-4-7-12(13)18-15(19)17-9-6-10-20;/h4-5,7-8,20H,6,9-11H2,1-3H3,(H,17,18);1H