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

Systemtic Name: 3-[4-(1-cycloheptylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[4-(1-cycloheptylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[4-(1-cycloheptyl-4-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[4-(1-cycloheptylimidazol-4-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[4-(1-cycloheptylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C35H39N4O2+ MolecularWeight: 547.70976

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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)C6CCCCCC6

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)C6CCCCCC6

InChI

InChI=1S/C35H38N4O2/c1-4-13-32-37-34-28(29-22-38(23-36-29)26-16-10-5-6-11-17-26)18-12-19-31(34)39(32,3)30-21-20-27(25-14-8-7-9-15-25)33(24(30)2)35(40)41/h7-9,12,14-15,18-23,26H,4-6,10-11,13,16-17H2,1-3H3/p+1