methyl 2-[(2S)-1-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[2-keto-2-(o-phenetidino)ethyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C17H24N3O5+ MolecularWeight: 350.38956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCNC(=O)[C@@H]2CC(=O)OC

InChI

InChI=1S/C17H23N3O5/c1-3-25-14-7-5-4-6-12(14)19-15(21)11-20-9-8-18-17(23)13(20)10-16(22)24-2/h4-7,13H,3,8-11H2,1-2H3,(H,18,23)(H,19,21)/p+1/t13-/m0/s1