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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C[NH+]2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C[NH+]2CCNC(=O)[C@@H]2CC(=O)OC

InChI

InChI=1S/C17H23N3O5/c1-24-14-6-4-3-5-12(14)10-19-15(21)11-20-8-7-18-17(23)13(20)9-16(22)25-2/h3-6,13H,7-11H2,1-2H3,(H,18,23)(H,19,21)/p+1/t13-/m0/s1