(3R)-1-phenethyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-phenethyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-phenethyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-phenethyl-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-phenethyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-phenethyl-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N5O2/c26-18-15-17(19(27)25(18)10-7-16-5-2-1-3-6-16)23-11-13-24(14-12-23)20-21-8-4-9-22-20/h1-6,8-9,17H,7,10-15H2/p+1/t17-/m1/s1