(3R)-1-(2,6-dimethylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(2,6-dimethylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(2,6-dimethylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(2,6-dimethylphenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(2,6-dimethylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(2,6-dimethylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C21H26N4O2+2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H24N4O2/c1-15-6-5-7-16(2)20(15)25-19(26)14-17(21(25)27)23-10-12-24(13-11-23)18-8-3-4-9-22-18/h3-9,17H,10-14H2,1-2H3/p+2/t17-/m1/s1