2-[2-(pyridin-4-ylmethylamino)-3H-benzimidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-(pyridin-4-ylmethylamino)-3H-benzimidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(4-pyridylmethylamino)-3H-benzimidazol-1-ium-1-yl]acetic acid CAS Name: 2-[2-(pyridin-4-ylmethylamino)-3H-benzimidazol-1-ium-1-yl]acetic acid IUPAC Name: 2-[2-(pyridin-4-ylmethylamino)-3H-benzimidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[2-(4-pyridylmethylamino)-3H-benzimidazol-1-ium-1-yl]acetic acid Formula: C15H15N4O2+ MolecularWeight: 283.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)O)NCC3=CC=NC=C3

InChI

InChI=1S/C15H14N4O2/c20-14(21)10-19-13-4-2-1-3-12(13)18-15(19)17-9-11-5-7-16-8-6-11/h1-8H,9-10H2,(H2,17,18,20,21)/p+1