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

Systemtic Name: 4-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzoate Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]benzoate CAS Name: 4-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzoate IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]benzoate Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]benzoate Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=CC=C(C=C3)C(=O)[O-]

InChI

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