ethyl 4-[(3R)-1-(3-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3R)-1-(3-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3R)-1-(3-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3R)-1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3R)-1-(3-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H21BrN3O4+ MolecularWeight: 411.27034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O4/c1-2-25-17(24)20-8-6-19(7-9-20)14-11-15(22)21(16(14)23)13-5-3-4-12(18)10-13/h3-5,10,14H,2,6-9,11H2,1H3/p+1/t14-/m1/s1