3-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid dihydrobromide

Systemtic Name: 3-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[[2-[4-(aminomethyl)phenyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[2-[4-(aminomethyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid dihydrobromide Formula: C19H22Br2N4O3 MolecularWeight: 514.21098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)CN.Br.Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)CN.Br.Br

InChI

InChI=1S/C19H20N4O3.2BrH/c1-23-16-7-6-14(19(26)21-9-8-17(24)25)10-15(16)22-18(23)13-4-2-12(11-20)3-5-13;;/h2-7,10H,8-9,11,20H2,1H3,(H,21,26)(H,24,25);2*1H