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

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

CC(CC1=NC2=C(C=CC=C2N1C)C(=O)NCCC(=O)O)C3CCNCC3.Br.Br

Isomeric SMILES

CC(CC1=NC2=C(C=CC=C2N1C)C(=O)NCCC(=O)O)C3CCNCC3.Br.Br

InChI

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