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

Systemtic Name: (3R)-1-(3-methylphenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-methylpiperazin-1-ium-1-yl)-1-(m-tolyl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-methylphenyl)-3-(4-methyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-methylphenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-methylpiperazin-1-ium-1-yl)-1-(m-tolyl)pyrrolidine-2,5-quinone Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-12-4-3-5-13(10-12)19-15(20)11-14(16(19)21)18-8-6-17(2)7-9-18/h3-5,10,14H,6-9,11H2,1-2H3/p+1/t14-/m1/s1