4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H22N2O3/c1-15(23)17-6-8-19(9-7-17)22-12-10-21(11-13-22)14-16-2-4-18(5-3-16)20(24)25/h2-9H,10-14H2,1H3,(H,24,25)