ethyl 2-[2-[(2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(2S)-2-(2-methoxy-2-oxo-ethyl)-3-oxo-piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(2S)-3-keto-2-(2-keto-2-methoxy-ethyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C18H24N3O6+ MolecularWeight: 378.39966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCNC(=O)[C@@H]2CC(=O)OC

InChI

InChI=1S/C18H23N3O6/c1-3-27-18(25)12-6-4-5-7-13(12)20-15(22)11-21-9-8-19-17(24)14(21)10-16(23)26-2/h4-7,14H,3,8-11H2,1-2H3,(H,19,24)(H,20,22)/p+1/t14-/m0/s1