3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]benzoate

Systemtic Name: 3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]benzoate Openeye Name: 3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]benzoate CAS Name: 3-[3-(4-phenyl-1-piperazin-1-iumyl)propoxy]benzoate IUPAC Name: 3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]benzoate Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3/c23-20(24)17-6-4-9-19(16-17)25-15-5-10-21-11-13-22(14-12-21)18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15H2,(H,23,24)