2-[4-[[1-methyl-4-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[1-methyl-4-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[1-methyl-4-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-methyl-4-(1-phenethyl-4-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[1-methyl-4-(1-phenethylimidazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[1-methyl-4-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C36H34N4O2 MolecularWeight: 554.68076

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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=CN(C=N5)CCC6=CC=CC=C6

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=CN(C=N5)CCC6=CC=CC=C6

InChI

InChI=1S/C36H34N4O2/c1-3-10-34-38-35-31(32-23-39(25-37-32)22-21-26-11-5-4-6-12-26)15-9-16-33(35)40(34,2)24-27-17-19-28(20-18-27)29-13-7-8-14-30(29)36(41)42/h4-9,11-20,23,25H,3,10,21-22,24H2,1-2H3