methyl 2-[(2S)-1-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(4-tert-butylanilino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(4-tert-butylanilino)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(4-tert-butylanilino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-(4-tert-butylanilino)-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-19(2,3)13-5-7-14(8-6-13)21-16(23)12-22-10-9-20-18(25)15(22)11-17(24)26-4/h5-8,15H,9-12H2,1-4H3,(H,20,25)(H,21,23)/p+1/t15-/m0/s1