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

Systemtic Name: 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3R)-2,5-dioxo-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-(4-phenyl-1-piperazin-1-iumyl)-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3R)-2,5-dioxo-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidino]benzoate Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4/c25-19-14-18(20(26)24(19)17-8-6-15(7-9-17)21(27)28)23-12-10-22(11-13-23)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,27,28)/t18-/m1/s1