2-[4-[[1-(1,3-benzoxazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-(1,3-benzoxazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(1,3-benzoxazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(1,3-benzoxazol-2-yl)-2-butyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(1,3-benzoxazol-2-yl)-2-butylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(1,3-benzoxazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H28N3O3+ MolecularWeight: 502.58302

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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)C5=NC6=CC=CC=C6O5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C32H27N3O3/c1-2-3-16-30-33-26-12-6-8-14-28(26)35(30,32-34-27-13-7-9-15-29(27)38-32)21-22-17-19-23(20-18-22)24-10-4-5-11-25(24)31(36)37/h4-15,17-20H,2-3,16,21H2,1H3/p+1