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

Systemtic Name: butyl 4-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-3-4-13-26-19(25)16-5-7-17(8-6-16)20-18(24)14-21-9-11-22(12-10-21)15(2)23/h5-8H,3-4,9-14H2,1-2H3,(H,20,24)/p+1