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

Systemtic Name: (3S)-1-methyl-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-methyl-pyrrolidine-2,5-dione CAS Name: (3S)-1-methyl-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-methylpyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-pyrrolidine-2,5-quinone Formula: C16H23N3O2+2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C[C@@H](C1=O)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N3O2/c1-17-15(20)11-14(16(17)21)19-9-7-18(8-10-19)12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/p+2/t14-/m0/s1