2-[2-[[2-(2-methylpropyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[2-(2-methylpropyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(2-isobutyl-3H-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[2-(2-methylpropyl)-3H-benzimidazol-1-ium-1-yl]methyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[2-(2-methylpropyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(2-isobutyl-3H-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]acetic acid Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C2=CC=CC=C2N1)CC3=NC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

CC(C)CC1=[N+](C2=CC=CC=C2N1)CC3=NC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C21H22N4O2/c1-14(2)11-19-22-15-7-3-5-9-17(15)24(19)12-20-23-16-8-4-6-10-18(16)25(20)13-21(26)27/h3-10,14H,11-13H2,1-2H3,(H,26,27)/p+1