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

Systemtic Name: ethyl 4-[(3R)-1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3R)-1-(4-iodophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3R)-1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3R)-1-(4-iodophenyl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H21IN3O4+ MolecularWeight: 458.27081

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C17H20IN3O4/c1-2-25-17(24)20-9-7-19(8-10-20)14-11-15(22)21(16(14)23)13-5-3-12(18)4-6-13/h3-6,14H,2,7-11H2,1H3/p+1/t14-/m1/s1