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

Systemtic Name: 2-[4-[[4-(1-hexylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[4-(1-hexylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-(1-hexyl-4-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[4-(1-hexylimidazol-4-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-(1-hexylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C34H38N4O2 MolecularWeight: 534.69112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(N=C1)C2=C3C(=CC=C2)[N+](C(=N3)CCC)(C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)[O-]

Isomeric SMILES

CCCCCCN1C=C(N=C1)C2=C3C(=CC=C2)[N+](C(=N3)CCC)(C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)[O-]

InChI

InChI=1S/C34H38N4O2/c1-4-6-7-10-21-37-22-30(35-24-37)29-15-11-16-31-33(29)36-32(12-5-2)38(31,3)23-25-17-19-26(20-18-25)27-13-8-9-14-28(27)34(39)40/h8-9,11,13-20,22,24H,4-7,10,12,21,23H2,1-3H3