1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(phenylmethyl)pyrrolidine-2,5-dione

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: 3-benzyl-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,5-dione CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: 3-benzyl-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,5-dione Traditional Name: 3-benzyl-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,5-quinone Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCC[N+]2=CNC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)N(C1=O)CCC[N+]2=CNC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O2/c21-16-12-15(11-14-5-2-1-3-6-14)17(22)20(16)9-4-8-19-10-7-18-13-19/h1-3,5-7,10,13,15H,4,8-9,11-12H2/p+1