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

Systemtic Name: 3-[[1-methyl-2-(2-piperazin-1-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid trihydrobromide Openeye Name: 3-[[1-methyl-2-(2-piperazin-1-ylethyl)benzimidazole-4-carbonyl]amino]propanoic acid trihydrobromide CAS Name: 3-[[[1-methyl-2-[2-(1-piperazinyl)ethyl]-4-benzimidazolyl]-oxomethyl]amino]propanoic acid trihydrobromide IUPAC Name: 3-[[1-methyl-2-(2-piperazin-1-ylethyl)benzimidazole-4-carbonyl]amino]propanoic acid trihydrobromide Traditional Name: 3-[[1-methyl-2-(2-piperazinoethyl)benzimidazole-4-carbonyl]amino]propionic acid trihydrobromide Formula: C18H28Br3N5O3 MolecularWeight: 602.15862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2N=C1CCN3CCNCC3)C(=O)NCCC(=O)O.Br.Br.Br

Isomeric SMILES

CN1C2=CC=CC(=C2N=C1CCN3CCNCC3)C(=O)NCCC(=O)O.Br.Br.Br

InChI

InChI=1S/C18H25N5O3.3BrH/c1-22-14-4-2-3-13(18(26)20-7-5-16(24)25)17(14)21-15(22)6-10-23-11-8-19-9-12-23;;;/h2-4,19H,5-12H2,1H3,(H,20,26)(H,24,25);3*1H