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

Systemtic Name: 4-[4-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Openeye Name: 4-[4-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)piperazin-4-ium-1-yl]phenolate CAS Name: 4-[4-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)-1-piperazin-4-iumyl]phenolate IUPAC Name: 4-[4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazin-4-ium-1-yl]phenolate Traditional Name: 4-[4-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)piperazin-4-ium-1-yl]phenolate Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)[O-]

InChI

InChI=1S/C20H21N3O3/c24-17-8-6-15(7-9-17)21-10-12-22(13-11-21)18-14-19(25)23(20(18)26)16-4-2-1-3-5-16/h1-9,18,24H,10-14H2