tert-butyl 4-[(3S)-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(3S)-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H27N3O5/c1-20(2,3)28-19(26)22-11-9-21(10-12-22)16-13-17(24)23(18(16)25)14-5-7-15(27-4)8-6-14/h5-8,16H,9-13H2,1-4H3/p+1/t16-/m0/s1