1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpyrrolidine-3-carboxylic acid dihydrobromide

Systemtic Name: 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpyrrolidine-3-carboxylic acid dihydrobromide Openeye Name: 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]pyrrolidine-3-carboxylic acid dihydrobromide CAS Name: 1-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]-3-pyrrolidinecarboxylic acid dihydrobromide IUPAC Name: 1-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]pyrrolidine-3-carboxylic acid dihydrobromide Traditional Name: 1-[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]pyrrolidine-3-carboxylic acid dihydrobromide Formula: C21H23Br2N5O3 MolecularWeight: 553.24702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCC(C3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N.Br.Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCC(C3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N.Br.Br

InChI

InChI=1S/C21H21N5O3.2BrH/c1-25-17-7-6-14(20(27)26-9-8-15(11-26)21(28)29)10-16(17)24-19(25)13-4-2-12(3-5-13)18(22)23;;/h2-7,10,15H,8-9,11H2,1H3,(H3,22,23)(H,28,29);2*1H