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

Systemtic Name: ethyl 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c1-3-24-17(23)14-6-4-5-7-15(14)18-16(22)12-19-8-10-20(11-9-19)13(2)21/h4-7H,3,8-12H2,1-2H3,(H,18,22)/p+1