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

Systemtic Name: 2-[4-[[1-ethyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[1-ethyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-ethyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[1-ethyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[1-ethyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C34H32N4O2 MolecularWeight: 528.64348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(CC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=NC6=CC=CC=C6N5C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(CC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C34H32N4O2/c1-4-11-31-36-32-27(33-35-28-15-8-9-16-29(28)37(33)3)14-10-17-30(32)38(31,5-2)22-23-18-20-24(21-19-23)25-12-6-7-13-26(25)34(39)40/h6-10,12-21H,4-5,11,22H2,1-3H3