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

Systemtic Name: (3R)-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(m-tolyl)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-methylphenyl)-3-[4-(2-pyridinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(m-tolyl)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H22N4O2/c1-15-5-4-6-16(13-15)24-19(25)14-17(20(24)26)22-9-11-23(12-10-22)18-7-2-3-8-21-18/h2-8,13,17H,9-12,14H2,1H3/p+1/t17-/m1/s1