1-[2-[2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)butanoyl]pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 1-[2-[2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)butanoyl]pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 1-[2-[2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)butanoyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 1-[2-[2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-1-oxobutyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 1-[2-[2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)butanoyl]pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 1-[2-[2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)butanoyl]pyrrolidino]pentane-1,2-dione Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=O)N1CCCC1C(=O)C(C)(C)CCC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCC(=O)C(=O)N1CCCC1C(=O)C(C)(C)CCC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C20H28N2O4/c1-4-8-17(23)19(25)21-13-7-10-16(21)18(24)20(2,3)12-11-15-9-5-6-14-22(15)26/h5-6,9,14,16H,4,7-8,10-13H2,1-3H3