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

Systemtic Name: (3S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C20H25N6O2+ MolecularWeight: 381.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NN2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H24N6O2/c1-14-12-15(2)22-20(21-14)23-26-18(27)13-17(19(26)28)25-10-8-24(9-11-25)16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,21,22,23)/p+1/t17-/m0/s1