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

Systemtic Name: methyl 2-[(2S)-1-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(3-methoxyanilino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[2-keto-2-(m-anisidino)ethyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCNC(=O)[C@@H]2CC(=O)OC

InChI

InChI=1S/C16H21N3O5/c1-23-12-5-3-4-11(8-12)18-14(20)10-19-7-6-17-16(22)13(19)9-15(21)24-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,17,22)(H,18,20)/p+1/t13-/m0/s1