2-[4-[[1-(1-benzofuran-2-ylcarbonylamino)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-(1-benzofuran-2-ylcarbonylamino)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(benzofuran-2-carbonylamino)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-[[2-benzofuranyl(oxo)methyl]amino]-2-butyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(1-benzofuran-2-carbonylamino)-2-butylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(benzofuran-2-carbonylamino)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C34H30N3O4+ MolecularWeight: 544.6197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C34H29N3O4/c1-2-3-16-32-35-28-13-7-8-14-29(28)37(32,36-33(38)31-21-25-10-4-9-15-30(25)41-31)22-23-17-19-24(20-18-23)26-11-5-6-12-27(26)34(39)40/h4-15,17-21H,2-3,16,22H2,1H3,(H-,36,38,39,40)/p+1