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

Systemtic Name: 2-[4-[[1-methyl-4-[1-(phenylmethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[4-(1-benzylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-methyl-4-[1-(phenylmethyl)-4-imidazolyl]-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[4-(1-benzylimidazol-4-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-(1-benzylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C35H32N4O2 MolecularWeight: 540.65418

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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)CC6=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)CC6=CC=CC=C6

InChI

InChI=1S/C35H32N4O2/c1-3-10-33-37-34-30(31-22-38(24-36-31)21-25-11-5-4-6-12-25)15-9-16-32(34)39(33,2)23-26-17-19-27(20-18-26)28-13-7-8-14-29(28)35(40)41/h4-9,11-20,22,24H,3,10,21,23H2,1-2H3