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

Systemtic Name: propan-2-yl 4-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C24H29N3O4/c1-17(2)31-24(30)20-4-8-21(9-5-20)25-23(29)16-26-12-14-27(15-13-26)22-10-6-19(7-11-22)18(3)28/h4-11,17H,12-16H2,1-3H3,(H,25,29)/p+1