(3S)-1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-pyrrolidine-2,5-dione CAS Name: (3S)-1-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-phenylpyrrolidine-2,5-dione IUPAC Name: (3S)-1-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-3-phenylpyrrolidine-2,5-dione Traditional Name: (3S)-1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-pyrrolidine-2,5-quinone Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=O)CC(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=O)C[C@H](C3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN3O2/c1-16-7-8-18(23)13-20(16)25-11-9-24(10-12-25)15-26-21(27)14-19(22(26)28)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3/p+1/t19-/m0/s1