5-[[1-methyl-4-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[[1-methyl-4-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[1-methyl-4-[1-(2-morpholinoethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[1-methyl-4-[1-[2-(4-morpholinyl)ethyl]-4-imidazolyl]-2-propyl-1-benzimidazol-1-iumyl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[1-methyl-4-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propylbenzimidazol-1-ium-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[1-methyl-4-[1-(2-morpholinoethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid Formula: C34H38N5O3+ MolecularWeight: 564.69722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C5=CN(C=N5)CCN6CCOCC6

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C5=CN(C=N5)CCN6CCOCC6

InChI

InChI=1S/C34H37N5O3/c1-3-8-32-36-33-28(30-22-38(24-35-30)16-15-37-17-19-42-20-18-37)11-7-12-31(33)39(32,2)23-25-13-14-27(29(21-25)34(40)41)26-9-5-4-6-10-26/h4-7,9-14,21-22,24H,3,8,15-20,23H2,1-2H3/p+1