1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-(2-methyl-4-pyridin-3-yl-butan-2-yl)oxycarbonyl-azetidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-(2-methyl-4-pyridin-3-yl-butan-2-yl)oxycarbonyl-azetidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-[1,1-dimethyl-3-(3-pyridyl)propoxy]carbonyl-azetidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-[[2-methyl-4-(3-pyridinyl)butan-2-yl]oxy-oxomethyl]-2-azetidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-(2-methyl-4-pyridin-3-ylbutan-2-yl)oxycarbonylazetidin-1-ium-2-carboxylate Traditional Name: 1-[1,1-dimethyl-3-(3-pyridyl)propoxy]carbonyl-1-(2-keto-3,3-dimethyl-pentanoyl)azetidin-1-ium-2-carboxylate Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)[N+]1(CCC1C(=O)[O-])C(=O)OC(C)(C)CCC2=CN=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)[N+]1(CCC1C(=O)[O-])C(=O)OC(C)(C)CCC2=CN=CC=C2

InChI

InChI=1S/C22H30N2O6/c1-6-21(2,3)17(25)18(26)24(13-10-16(24)19(27)28)20(29)30-22(4,5)11-9-15-8-7-12-23-14-15/h7-8,12,14,16H,6,9-11,13H2,1-5H3