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

Systemtic Name: 3-[4-(1,2-dimethylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[4-(1,2-dimethylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[4-(1,2-dimethyl-4-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[4-(1,2-dimethylimidazol-4-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[4-(1,2-dimethylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C30H31N4O2+ MolecularWeight: 479.59274

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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

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

InChI

InChI=1S/C30H30N4O2/c1-6-11-27-32-29-23(24-18-33(4)20(3)31-24)14-10-15-26(29)34(27,5)25-17-16-22(21-12-8-7-9-13-21)28(19(25)2)30(35)36/h7-10,12-18H,6,11H2,1-5H3/p+1