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

Systemtic Name: (3R)-1-(2,4-dimethylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(2,4-dimethylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(2,4-dimethylphenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(2,4-dimethylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(2,4-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=CC(=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-15-6-7-17(16(2)13-15)25-20(26)14-18(21(25)27)23-9-11-24(12-10-23)19-5-3-4-8-22-19/h3-8,13,18H,9-12,14H2,1-2H3/p+2/t18-/m1/s1