1-[2-[2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-3-yl)butanoyl]pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 1-[2-[2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-3-yl)butanoyl]pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 1-[2-[2,2-dimethyl-4-(1-oxidopyridin-1-ium-3-yl)butanoyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 1-[2-[2,2-dimethyl-4-(1-oxido-3-pyridin-1-iumyl)-1-oxobutyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 1-[2-[2,2-dimethyl-4-(1-oxidopyridin-1-ium-3-yl)butanoyl]pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 1-[2-[2,2-dimethyl-4-(1-oxidopyridin-1-ium-3-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=C[N+](=CC=C2)[O-]

Isomeric SMILES

CCCC(=O)C(=O)N1CCCC1C(=O)C(C)(C)CCC2=C[N+](=CC=C2)[O-]

InChI

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