3-[[2-(4-carbamimidoylphenyl)-1,1-dimethyl-benzimidazol-1-ium-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1,1-dimethyl-benzimidazol-1-ium-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1,1-dimethyl-benzimidazol-1-ium-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1,1-dimethyl-5-benzimidazol-1-iumyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1,1-dimethylbenzimidazol-1-ium-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1,1-dimethyl-benzimidazol-1-ium-5-carbonyl]amino]propionic acid Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

C[N+]1(C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C20H21N5O3/c1-25(2)16-8-7-14(20(28)23-10-9-17(26)27)11-15(16)24-19(25)13-5-3-12(4-6-13)18(21)22/h3-8,11H,9-10H2,1-2H3,(H4-,21,22,23,26,27,28)/p+1