(3S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C15H22N5O2+ MolecularWeight: 304.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN2C(=O)CC(C2=O)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NN2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3)C

InChI

InChI=1S/C15H21N5O2/c1-10-8-11(2)17-15(16-10)18-20-13(21)9-12(14(20)22)19-6-4-3-5-7-19/h8,12H,3-7,9H2,1-2H3,(H,16,17,18)/p+1/t12-/m0/s1