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

Systemtic Name: 2-[4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanoate Openeye Name: 2-[4-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenyl]acetate CAS Name: 2-[4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]acetate IUPAC Name: 2-[4-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenyl]acetate Traditional Name: 2-[4-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenyl]acetate Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)[O-]

InChI

InChI=1S/C20H24N2O2/c23-20(24)14-17-6-8-19(9-7-17)16-22-12-10-21(11-13-22)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,24)