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

Systemtic Name: ethyl 4-[1-(4-acetamidophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[1-(4-acetamidophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[1-(4-acetamidophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[1-(4-acetamidophenyl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H25N4O5+ MolecularWeight: 389.4256

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5/c1-3-28-19(27)22-10-8-21(9-11-22)16-12-17(25)23(18(16)26)15-6-4-14(5-7-15)20-13(2)24/h4-7,16H,3,8-12H2,1-2H3,(H,20,24)/p+1