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

Systemtic Name: 3-[[1-methyl-2-[2-(2-methylpiperazin-1-yl)ethyl]benzimidazol-4-yl]carbonylamino]propanoic acid trihydrobromide Openeye Name: 3-[[1-methyl-2-[2-(2-methylpiperazin-1-yl)ethyl]benzimidazole-4-carbonyl]amino]propanoic acid trihydrobromide CAS Name: 3-[[[1-methyl-2-[2-(2-methyl-1-piperazinyl)ethyl]-4-benzimidazolyl]-oxomethyl]amino]propanoic acid trihydrobromide IUPAC Name: 3-[[1-methyl-2-[2-(2-methylpiperazin-1-yl)ethyl]benzimidazole-4-carbonyl]amino]propanoic acid trihydrobromide Traditional Name: 3-[[1-methyl-2-[2-(2-methylpiperazino)ethyl]benzimidazole-4-carbonyl]amino]propionic acid trihydrobromide Formula: C19H30Br3N5O3 MolecularWeight: 616.1852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1CCC2=NC3=C(C=CC=C3N2C)C(=O)NCCC(=O)O.Br.Br.Br

Isomeric SMILES

CC1CNCCN1CCC2=NC3=C(C=CC=C3N2C)C(=O)NCCC(=O)O.Br.Br.Br

InChI

InChI=1S/C19H27N5O3.3BrH/c1-13-12-20-9-11-24(13)10-7-16-22-18-14(4-3-5-15(18)23(16)2)19(27)21-8-6-17(25)26;;;/h3-5,13,20H,6-12H2,1-2H3,(H,21,27)(H,25,26);3*1H