(3S)-1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-methyl-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-methyl-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C13H18N5O2+ MolecularWeight: 276.31432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN1C(=O)C[C@@H](C1=O)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C13H17N5O2/c1-16-11(19)9-10(12(16)20)17-5-7-18(8-6-17)13-14-3-2-4-15-13/h2-4,10H,5-9H2,1H3/p+1/t10-/m0/s1