2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]benzoate Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H19N3O2/c21-17(22)15-6-1-2-7-16(15)20-11-9-19(10-12-20)13-14-5-3-4-8-18-14/h1-8H,9-13H2,(H,21,22)