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

Systemtic Name: 3-[[1-butyl-2-(4-carbamimidoylphenyl)benzimidazol-1-ium-1-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-butyl-2-(4-carbamimidoylphenyl)benzimidazol-1-ium-1-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-butyl-2-(4-carbamimidoylphenyl)-1-benzimidazol-1-iumyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-butyl-2-(4-carbamimidoylphenyl)benzimidazol-1-ium-1-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-butyl-benzimidazol-1-ium-1-carbonyl]amino]propionic acid Formula: C22H26N5O3+ MolecularWeight: 408.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C(=N)N)C(=O)NCCC(=O)O

Isomeric SMILES

CCCC[N+]1(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C(=N)N)C(=O)NCCC(=O)O

InChI

InChI=1S/C22H25N5O3/c1-2-3-14-27(22(30)25-13-12-19(28)29)18-7-5-4-6-17(18)26-21(27)16-10-8-15(9-11-16)20(23)24/h4-11H,2-3,12-14H2,1H3,(H4-,23,24,25,28,29,30)/p+1