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

Systemtic Name: ethyl 4-[(3R)-1-(3,4-dichlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3R)-1-(3,4-dichlorophenyl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H20Cl2N3O4+ MolecularWeight: 401.2644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2N3O4/c1-2-26-17(25)21-7-5-20(6-8-21)14-10-15(23)22(16(14)24)11-3-4-12(18)13(19)9-11/h3-4,9,14H,2,5-8,10H2,1H3/p+1/t14-/m1/s1