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

Systemtic Name: 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]benzoate Openeye Name: 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]benzoate CAS Name: 2-[2-(4-phenyl-1-piperazin-1-iumyl)ethoxy]benzoate IUPAC Name: 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]benzoate Traditional Name: 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]benzoate Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c22-19(23)17-8-4-5-9-18(17)24-15-14-20-10-12-21(13-11-20)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,23)