3-[1-methyl-2-(4-piperazin-1-ylphenyl)benzimidazol-5-yl]propanoic acid trihydrobromide

Systemtic Name: 3-[1-methyl-2-(4-piperazin-1-ylphenyl)benzimidazol-5-yl]propanoic acid trihydrobromide Openeye Name: 3-[1-methyl-2-(4-piperazin-1-ylphenyl)benzimidazol-5-yl]propanoic acid trihydrobromide CAS Name: 3-[1-methyl-2-[4-(1-piperazinyl)phenyl]-5-benzimidazolyl]propanoic acid trihydrobromide IUPAC Name: 3-[1-methyl-2-(4-piperazin-1-ylphenyl)benzimidazol-5-yl]propanoic acid trihydrobromide Traditional Name: 3-[1-methyl-2-(4-piperazinophenyl)benzimidazol-5-yl]propionic acid trihydrobromide Formula: C21H27Br3N4O2 MolecularWeight: 607.17668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCC(=O)O)N=C1C3=CC=C(C=C3)N4CCNCC4.Br.Br.Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCC(=O)O)N=C1C3=CC=C(C=C3)N4CCNCC4.Br.Br.Br

InChI

InChI=1S/C21H24N4O2.3BrH/c1-24-19-8-2-15(3-9-20(26)27)14-18(19)23-21(24)16-4-6-17(7-5-16)25-12-10-22-11-13-25;;;/h2,4-8,14,22H,3,9-13H2,1H3,(H,26,27);3*1H