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

Systemtic Name: 4-[2,5-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrolidin-1-yl]benzoate Openeye Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-pyrrolidinyl]benzoate IUPAC Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-2,5-diketo-pyrrolidino]benzoate Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H23N3O4/c26-20-14-19(21(27)25(20)18-8-6-17(7-9-18)22(28)29)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,28,29)