(3S)-1-(3-nitrophenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3-nitrophenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-nitrophenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-nitrophenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-nitrophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-nitrophenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c19-14-10-13(16-7-2-1-3-8-16)15(20)17(14)11-5-4-6-12(9-11)18(21)22/h4-6,9,13H,1-3,7-8,10H2/p+1/t13-/m0/s1