(3S)-1-(3-methylphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3-methylphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(m-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-methylphenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(m-tolyl)pyrrolidine-2,5-quinone Formula: C22H27N3O2+2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-17-6-5-9-19(14-17)25-21(26)15-20(22(25)27)24-12-10-23(11-13-24)16-18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3/p+2/t20-/m0/s1