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

Systemtic Name: 2-[4-[(1-methyl-2-propyl-4-pyridin-2-yl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-methyl-2-propyl-4-(2-pyridyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-methyl-2-propyl-4-(2-pyridinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(1-methyl-2-propyl-4-pyridin-2-ylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-methyl-2-propyl-4-(2-pyridyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C30H28N3O2+ MolecularWeight: 462.56222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=CC=CC=N5

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=CC=CC=N5

InChI

InChI=1S/C30H27N3O2/c1-3-9-28-32-29-25(26-13-6-7-19-31-26)12-8-14-27(29)33(28,2)20-21-15-17-22(18-16-21)23-10-4-5-11-24(23)30(34)35/h4-8,10-19H,3,9,20H2,1-2H3/p+1