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

Systemtic Name: 3-[[1-methyl-2-(3-piperidin-4-ylpropyl)benzimidazol-4-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[1-methyl-2-[3-(4-piperidyl)propyl]benzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[[1-methyl-2-[3-(4-piperidinyl)propyl]-4-benzimidazolyl]-oxomethyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[1-methyl-2-(3-piperidin-4-ylpropyl)benzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[1-methyl-2-[3-(4-piperidyl)propyl]benzimidazole-4-carbonyl]amino]propionic acid dihydrobromide Formula: C20H30Br2N4O3 MolecularWeight: 534.2852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2N=C1CCCC3CCNCC3)C(=O)NCCC(=O)O.Br.Br

Isomeric SMILES

CN1C2=CC=CC(=C2N=C1CCCC3CCNCC3)C(=O)NCCC(=O)O.Br.Br

InChI

InChI=1S/C20H28N4O3.2BrH/c1-24-16-6-3-5-15(20(27)22-13-10-18(25)26)19(16)23-17(24)7-2-4-14-8-11-21-12-9-14;;/h3,5-6,14,21H,2,4,7-13H2,1H3,(H,22,27)(H,25,26);2*1H