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

Systemtic Name: 2-[4-[[1-(1-methylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(1-methylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(1-methyl-2-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(1-methylimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(1-methylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C28H27N4O2+ MolecularWeight: 451.53958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC=CN5C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC=CN5C

InChI

InChI=1S/C28H26N4O2/c1-3-8-26-30-24-11-6-7-12-25(24)32(26,28-29-17-18-31(28)2)19-20-13-15-21(16-14-20)22-9-4-5-10-23(22)27(33)34/h4-7,9-18H,3,8,19H2,1-2H3/p+1