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

Systemtic Name: methyl 4-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O4/c1-16(26)17-5-9-20(10-6-17)25-13-11-24(12-14-25)15-21(27)23-19-7-3-18(4-8-19)22(28)29-2/h3-10H,11-15H2,1-2H3,(H,23,27)/p+1