ethyl 4-[3-(4-cyano-4-phenyl-piperazin-4-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-cyano-4-phenyl-piperazin-4-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(4-cyano-4-phenyl-piperazin-4-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(4-cyano-4-phenyl-1-piperazin-4-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-cyano-4-phenylpiperazin-4-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(4-cyano-4-phenyl-piperazin-4-ium-1-yl)-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C24H25N4O4+ MolecularWeight: 433.4797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CC[N+](CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CC[N+](CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H25N4O4/c1-2-32-24(31)18-8-10-19(11-9-18)27-22(29)16-21(23(27)30)26-12-14-28(17-25,15-13-26)20-6-4-3-5-7-20/h3-11,21H,2,12-16H2,1H3/q+1