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

Systemtic Name: propan-2-yl 4-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid isopropyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-13(2)25-18(24)15-4-6-16(7-5-15)19-17(23)12-20-8-10-21(11-9-20)14(3)22/h4-7,13H,8-12H2,1-3H3,(H,19,23)/p+1