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

Systemtic Name: 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3R)-2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3R)-2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]pyrrolidino]benzoate Formula: C19H19N5O4 MolecularWeight: 381.38526

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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=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C19H19N5O4/c25-16-12-15(17(26)24(16)14-4-2-13(3-5-14)18(27)28)22-8-10-23(11-9-22)19-20-6-1-7-21-19/h1-7,15H,8-12H2,(H,27,28)/t15-/m1/s1