(3R)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrrolidine-2,5-dione CAS Name: (3R)-3-phenyl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-phenyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-quinone Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)CC(C2=O)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C[C@@H](C2=O)C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C19H21N5O2/c25-17-13-16(15-5-2-1-3-6-15)18(26)24(17)14-22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,16H,9-14H2/p+1/t16-/m1/s1