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

Systemtic Name: 2-[4-[[4-(5-fluoranyl-1-methyl-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(5-fluoro-1-methyl-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(5-fluoro-1-methyl-2-benzimidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(5-fluoro-1-methylbenzimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(5-fluoro-1-methyl-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]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)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=C(N5C)C=CC(=C6)F

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=C(N5C)C=CC(=C6)F

InChI

InChI=1S/C33H29FN4O2/c1-4-8-30-36-31-26(32-35-27-19-23(34)17-18-28(27)37(32)2)11-7-12-29(31)38(30,3)20-21-13-15-22(16-14-21)24-9-5-6-10-25(24)33(39)40/h5-7,9-19H,4,8,20H2,1-3H3/p+1