3-[[1-(3-piperazin-1-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid trihydrobromide

Systemtic Name: 3-[[1-(3-piperazin-1-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid trihydrobromide Openeye Name: 3-[[1-(3-piperazin-1-ylpropyl)-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propanoic acid trihydrobromide CAS Name: 3-[[oxo-[1-[3-(1-piperazinyl)propyl]-2-[2-(4-piperidinyl)ethyl]-4-benzimidazolyl]methyl]amino]propanoic acid trihydrobromide IUPAC Name: 3-[[1-(3-piperazin-1-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-4-carbonyl]amino]propanoic acid trihydrobromide Traditional Name: 3-[[1-(3-piperazinopropyl)-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propionic acid trihydrobromide Formula: C25H41Br3N6O3 MolecularWeight: 713.34344

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC2=NC3=C(C=CC=C3N2CCCN4CCNCC4)C(=O)NCCC(=O)O.Br.Br.Br

Isomeric SMILES

C1CNCCC1CCC2=NC3=C(C=CC=C3N2CCCN4CCNCC4)C(=O)NCCC(=O)O.Br.Br.Br

InChI

InChI=1S/C25H38N6O3.3BrH/c32-23(33)9-12-28-25(34)20-3-1-4-21-24(20)29-22(6-5-19-7-10-26-11-8-19)31(21)16-2-15-30-17-13-27-14-18-30;;;/h1,3-4,19,26-27H,2,5-18H2,(H,28,34)(H,32,33);3*1H