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

Systemtic Name: 2-[2-[(2-propyl-3H-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(2-propyl-3H-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(2-propyl-3H-benzimidazol-1-ium-1-yl)methyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(2-propyl-3H-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(2-propyl-3H-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]acetic acid Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1)CC3=NC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1)CC3=NC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C20H20N4O2/c1-2-7-18-21-14-8-3-5-10-16(14)23(18)12-19-22-15-9-4-6-11-17(15)24(19)13-20(25)26/h3-6,8-11H,2,7,12-13H2,1H3,(H,25,26)/p+1