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

Systemtic Name: 3-[4-[1-[1-(2-methoxyethoxy)ethyl]imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[4-[1-[1-(2-methoxyethoxy)ethyl]imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[4-[1-[1-(2-methoxyethoxy)ethyl]-4-imidazolyl]-1-methyl-2-propyl-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[4-[1-[1-(2-methoxyethoxy)ethyl]imidazol-4-yl]-1-methyl-2-propylbenzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[4-[1-[1-(2-methoxyethoxy)ethyl]imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C33H37N4O4+ MolecularWeight: 553.67128

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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)C(C)OCCOC

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)C(C)OCCOC

InChI

InChI=1S/C33H36N4O4/c1-6-11-30-35-32-26(27-20-36(21-34-27)23(3)41-19-18-40-5)14-10-15-29(32)37(30,4)28-17-16-25(24-12-8-7-9-13-24)31(22(28)2)33(38)39/h7-10,12-17,20-21,23H,6,11,18-19H2,1-5H3/p+1