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

Systemtic Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethoxy]benzoate Openeye Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethoxy]benzoate CAS Name: 2-[2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethoxy]benzoate IUPAC Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethoxy]benzoate Traditional Name: 2-[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=C2C(=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2C(=O)[O-])C3=NC=CC=N3

InChI

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