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

Systemtic Name: (3S)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-1-methylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-1-methylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-quinone Formula: C15H19ClN3O2+ MolecularWeight: 308.78326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O2/c1-17-14(20)10-13(15(17)21)19-8-6-18(7-9-19)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3/p+1/t13-/m0/s1