1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylic acid dihydrobromide

Systemtic Name: 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylic acid dihydrobromide Openeye Name: 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid dihydrobromide CAS Name: 1-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]-2-pyrrolidinecarboxylic acid dihydrobromide IUPAC Name: 1-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid dihydrobromide Traditional Name: 1-[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]proline dihydrobromide Formula: C21H23Br2N5O3 MolecularWeight: 553.24702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCCC3C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N.Br.Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCCC3C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N.Br.Br

InChI

InChI=1S/C21H21N5O3.2BrH/c1-25-16-9-8-14(20(27)26-10-2-3-17(26)21(28)29)11-15(16)24-19(25)13-6-4-12(5-7-13)18(22)23;;/h4-9,11,17H,2-3,10H2,1H3,(H3,22,23)(H,28,29);2*1H