methyl 4-[[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O4/c1-17(27)19-7-9-21(10-8-19)26-13-11-25(12-14-26)16-22(28)24-15-18-3-5-20(6-4-18)23(29)30-2/h3-10H,11-16H2,1-2H3,(H,24,28)/p+1