3-[[2-(2-piperidin-4-ylethyl)-1H-benzimidazol-4-yl]carbonylamino]propanoic acid dihydrobromide

Systemtic Name: 3-[[2-(2-piperidin-4-ylethyl)-1H-benzimidazol-4-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[2-[2-(4-piperidyl)ethyl]-1H-benzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[oxo-[2-[2-(4-piperidinyl)ethyl]-1H-benzimidazol-4-yl]methyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[2-(2-piperidin-4-ylethyl)-1H-benzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[2-[2-(4-piperidyl)ethyl]-1H-benzimidazole-4-carbonyl]amino]propionic acid dihydrobromide Formula: C18H26Br2N4O3 MolecularWeight: 506.23204

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC2=NC3=C(C=CC=C3N2)C(=O)NCCC(=O)O.Br.Br

Isomeric SMILES

C1CNCCC1CCC2=NC3=C(C=CC=C3N2)C(=O)NCCC(=O)O.Br.Br

InChI

InChI=1S/C18H24N4O3.2BrH/c23-16(24)8-11-20-18(25)13-2-1-3-14-17(13)22-15(21-14)5-4-12-6-9-19-10-7-12;;/h1-3,12,19H,4-11H2,(H,20,25)(H,21,22)(H,23,24);2*1H