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

Systemtic Name: ethyl 1-[(3R)-1-(4-acetamidophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3R)-1-(4-acetamidophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3R)-1-(4-acetamidophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3R)-1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3R)-1-(4-acetamidophenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H25N3O5/c1-3-28-20(27)14-8-10-22(11-9-14)17-12-18(25)23(19(17)26)16-6-4-15(5-7-16)21-13(2)24/h4-7,14,17H,3,8-12H2,1-2H3,(H,21,24)/p+1/t17-/m1/s1