3-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethoxy]benzoate

Systemtic Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethoxy]benzoate Openeye Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethoxy]benzoate CAS Name: 3-[2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethoxy]benzoate IUPAC Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethoxy]benzoate Traditional Name: 3-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethoxy]benzoate Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC(=C2)C(=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC(=C2)C(=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O3/c22-16(23)14-3-1-4-15(13-14)24-12-11-20-7-9-21(10-8-20)17-18-5-2-6-19-17/h1-6,13H,7-12H2,(H,22,23)