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

Systemtic Name: 2-[4-[[4-[1-(cyclopentylmethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[4-[1-(cyclopentylmethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-[1-(cyclopentylmethyl)-4-imidazolyl]-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[4-[1-(cyclopentylmethyl)imidazol-4-yl]-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-[1-(cyclopentylmethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C34H36N4O2 MolecularWeight: 532.67524

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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)CC6CCCC6

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)CC6CCCC6

InChI

InChI=1S/C34H36N4O2/c1-3-9-32-36-33-29(30-21-37(23-35-30)20-24-10-4-5-11-24)14-8-15-31(33)38(32,2)22-25-16-18-26(19-17-25)27-12-6-7-13-28(27)34(39)40/h6-8,12-19,21,23-24H,3-5,9-11,20,22H2,1-2H3