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

Systemtic Name: 2-[4-[[2-butyl-1-(1-methylimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(1-methylimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(1-methyl-2-imidazolyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(1-methylimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(1-methylimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C29H29N4O2+ MolecularWeight: 465.56616

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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=NC=CN5C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC=CN5C

InChI

InChI=1S/C29H28N4O2/c1-3-4-13-27-31-25-11-7-8-12-26(25)33(27,29-30-18-19-32(29)2)20-21-14-16-22(17-15-21)23-9-5-6-10-24(23)28(34)35/h5-12,14-19H,3-4,13,20H2,1-2H3/p+1