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

Systemtic Name: (3S)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]-1-methylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-methylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-quinone Formula: C15H18Cl2N3O2+ MolecularWeight: 343.22832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C(=O)C[C@@H](C1=O)[NH+]2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H17Cl2N3O2/c1-18-14(21)9-13(15(18)22)20-6-4-19(5-7-20)10-2-3-11(16)12(17)8-10/h2-3,8,13H,4-7,9H2,1H3/p+1/t13-/m0/s1