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

Systemtic Name: 3-[[1-methyl-2-(4-piperidin-4-ylbutyl)benzimidazol-4-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[1-methyl-2-[4-(4-piperidyl)butyl]benzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[[1-methyl-2-[4-(4-piperidinyl)butyl]-4-benzimidazolyl]-oxomethyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[1-methyl-2-(4-piperidin-4-ylbutyl)benzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[1-methyl-2-[4-(4-piperidyl)butyl]benzimidazole-4-carbonyl]amino]propionic acid dihydrobromide Formula: C21H32Br2N4O3 MolecularWeight: 548.31178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2N=C1CCCCC3CCNCC3)C(=O)NCCC(=O)O.Br.Br

Isomeric SMILES

CN1C2=CC=CC(=C2N=C1CCCCC3CCNCC3)C(=O)NCCC(=O)O.Br.Br

InChI

InChI=1S/C21H30N4O3.2BrH/c1-25-17-7-4-6-16(21(28)23-14-11-19(26)27)20(17)24-18(25)8-3-2-5-15-9-12-22-13-10-15;;/h4,6-7,15,22H,2-3,5,8-14H2,1H3,(H,23,28)(H,26,27);2*1H