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

Systemtic Name: 2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]ethanoate Openeye Name: 2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]acetate CAS Name: 2-[4-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]acetate IUPAC Name: 2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]acetate Traditional Name: 2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]acetate Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c22-19(23)14-16-6-8-17(9-7-16)15-20-10-12-21(13-11-20)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,23)