2-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanoate

Systemtic Name: 2-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanoate Openeye Name: 2-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetate CAS Name: 2-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenyl]acetate IUPAC Name: 2-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetate Traditional Name: 2-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenyl]acetate Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)CC(=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)CC(=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O2/c22-16(23)12-14-2-4-15(5-3-14)13-20-8-10-21(11-9-20)17-18-6-1-7-19-17/h1-7H,8-13H2,(H,22,23)