1-[(2S)-3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[(2S)-3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propyl]pyrrolidine-2,5-dione Openeye Name: 1-[(2S)-2-hydroxy-3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]pyrrolidine-2,5-dione CAS Name: 1-[(2S)-2-hydroxy-3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]pyrrolidine-2,5-dione IUPAC Name: 1-[(2S)-2-hydroxy-3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]pyrrolidine-2,5-dione Traditional Name: 1-[(2S)-2-hydroxy-3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]pyrrolidine-2,5-quinone Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(CN3C(=O)CCC3=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)C[C@H](CN3C(=O)CCC3=O)O

InChI

InChI=1S/C18H25N3O3/c1-14-3-2-4-15(11-14)20-9-7-19(8-10-20)12-16(22)13-21-17(23)5-6-18(21)24/h2-4,11,16,22H,5-10,12-13H2,1H3/p+1/t16-/m1/s1