(3S)-1-(3-methylphenyl)-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3-methylphenyl)-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(m-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-benzoyl-1-piperazin-1-iumyl)-1-(3-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(m-tolyl)pyrrolidine-2,5-quinone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-16-6-5-9-18(14-16)25-20(26)15-19(22(25)28)23-10-12-24(13-11-23)21(27)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3/p+1/t19-/m0/s1