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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

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