3-acetyloxy-4-[6-carboxyoxyhexylcarbamoyl(dimethyl)azaniumyl]butanoate

Systemtic Name: 3-acetyloxy-4-[6-carboxyoxyhexylcarbamoyl(dimethyl)azaniumyl]butanoate Openeye Name: 3-acetoxy-4-[6-carboxyoxyhexylcarbamoyl(dimethyl)ammonio]butanoate CAS Name: 3-acetyloxy-4-[[(6-carboxyoxyhexylamino)-oxomethyl]-dimethylammonio]butanoate IUPAC Name: 3-acetyloxy-4-[6-carboxyoxyhexylcarbamoyl(dimethyl)azaniumyl]butanoate Traditional Name: 3-acetoxy-4-[6-carboxyoxyhexylcarbamoyl(dimethyl)ammonio]butyrate Formula: C16H28N2O8 MolecularWeight: 376.40212

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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)