2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethanoate Openeye Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]acetate IUPAC Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)acetate Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3N2)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3N2)CC(=O)[O-]

InChI

InChI=1S/C16H14N2O2/c19-16(20)11-18-14-9-5-4-8-13(14)17-15(18)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)