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

Systemtic Name: methyl 2-[(2S)-1-[2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(dibenzofuran-2-ylamino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(2-dibenzofuranylamino)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-(dibenzofuran-2-ylamino)-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C21H22N3O5+ MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCC[NH+]1CC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O5/c1-28-20(26)11-16-21(27)22-8-9-24(16)12-19(25)23-13-6-7-18-15(10-13)14-4-2-3-5-17(14)29-18/h2-7,10,16H,8-9,11-12H2,1H3,(H,22,27)(H,23,25)/p+1/t16-/m0/s1