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

Systemtic Name: (3S)-1-methyl-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-methyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-benzoyl-1-piperazin-1-iumyl)-1-methylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-methylpyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-methyl-pyrrolidine-2,5-quinone Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-17-14(20)11-13(16(17)22)18-7-9-19(10-8-18)15(21)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/p+1/t13-/m0/s1