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

Systemtic Name: methyl 4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-16(24)18-7-9-20(10-8-18)23-13-11-22(12-14-23)15-17-3-5-19(6-4-17)21(25)26-2/h3-10H,11-15H2,1-2H3/p+1