2-[4-(1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(1H-benzimidazol-2-yl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]acetate Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C2=NC3=CC=CC=C3N2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H16N4O2/c18-12(19)9-16-5-7-17(8-6-16)13-14-10-3-1-2-4-11(10)15-13/h1-4H,5-9H2,(H,14,15)(H,18,19)