sodium 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]benzoate

Systemtic Name: sodium 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]benzoate Openeye Name: sodium 4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]benzoate CAS Name: sodium 4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]benzoate IUPAC Name: sodium 4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]benzoate Traditional Name: sodium 4-[2-[4-(4-pyridyl)piperazino]acetyl]benzoate Formula: C18H18N3NaO3 MolecularWeight: 347.34359

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=C(C=C2)C(=O)[O-])C3=CC=NC=C3.[Na+]

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=C(C=C2)C(=O)[O-])C3=CC=NC=C3.[Na+]

InChI

InChI=1S/C18H19N3O3.Na/c22-17(14-1-3-15(4-2-14)18(23)24)13-20-9-11-21(12-10-20)16-5-7-19-8-6-16;/h1-8H,9-13H2,(H,23,24);/q;+1/p-1