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

Systemtic Name: butyl 4-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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