(2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-(6-carboxyoxyhexylcarbamoyl)-dimethyl-azanium

Systemtic Name: (2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-(6-carboxyoxyhexylcarbamoyl)-dimethyl-azanium Openeye Name: (2-acetoxy-4-hydroxy-4-oxo-butyl)-(6-carboxyoxyhexylcarbamoyl)-dimethyl-ammonium CAS Name: (2-acetyloxy-4-hydroxy-4-oxobutyl)-[(6-carboxyoxyhexylamino)-oxomethyl]-dimethylammonium IUPAC Name: (2-acetyloxy-4-hydroxy-4-oxobutyl)-(6-carboxyoxyhexylcarbamoyl)-dimethylazanium Traditional Name: (2-acetoxy-4-hydroxy-4-keto-butyl)-(6-carboxyoxyhexylcarbamoyl)-dimethyl-ammonium Formula: C16H29N2O8+ MolecularWeight: 377.41006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)C[N+](C)(C)C(=O)NCCCCCCOC(=O)O

Isomeric SMILES

CC(=O)OC(CC(=O)O)C[N+](C)(C)C(=O)NCCCCCCOC(=O)O

InChI

InChI=1S/C16H28N2O8/c1-12(19)26-13(10-14(20)21)11-18(2,3)15(22)17-8-6-4-5-7-9-25-16(23)24/h13H,4-11H2,1-3H3,(H2-,17,20,21,22,23,24)/p+1