(3S)-1-(3-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(m-tolyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-methylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(m-tolyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C21H24N3O2+ MolecularWeight: 350.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-16-6-5-9-18(14-16)24-20(25)15-19(21(24)26)23-12-10-22(11-13-23)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3/p+1/t19-/m0/s1