3-[4-(5-fluoranyl-1-methyl-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[4-(5-fluoranyl-1-methyl-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[4-(5-fluoro-1-methyl-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[4-(5-fluoro-1-methyl-2-benzimidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[4-(5-fluoro-1-methyl-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C33H30FN4O2+ MolecularWeight: 533.615303

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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=NC6=C(N5C)C=CC(=C6)F

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=NC6=C(N5C)C=CC(=C6)F

InChI

InChI=1S/C33H29FN4O2/c1-5-10-29-36-31-24(32-35-25-19-22(34)15-17-26(25)37(32)3)13-9-14-28(31)38(29,4)27-18-16-23(21-11-7-6-8-12-21)30(20(27)2)33(39)40/h6-9,11-19H,5,10H2,1-4H3/p+1