2-methyl-3-[1-methyl-4-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid

Systemtic Name: 2-methyl-3-[1-methyl-4-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid Openeye Name: 2-methyl-3-[1-methyl-4-[1-(2-morpholinoethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid CAS Name: 2-methyl-3-[1-methyl-4-[1-[2-(4-morpholinyl)ethyl]-4-imidazolyl]-2-propyl-1-benzimidazol-1-iumyl]-6-phenylbenzoic acid IUPAC Name: 2-methyl-3-[1-methyl-4-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propylbenzimidazol-1-ium-1-yl]-6-phenylbenzoic acid Traditional Name: 2-methyl-3-[1-methyl-4-[1-(2-morpholinoethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]-6-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)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C5=CN(C=N5)CCN6CCOCC6

Isomeric SMILES

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

InChI

InChI=1S/C34H37N5O3/c1-4-9-31-36-33-27(28-22-38(23-35-28)17-16-37-18-20-42-21-19-37)12-8-13-30(33)39(31,3)29-15-14-26(25-10-6-5-7-11-25)32(24(29)2)34(40)41/h5-8,10-15,22-23H,4,9,16-21H2,1-3H3/p+1