3-oxidanylidene-2-[1-propan-2-yloxy-2-(trimethylazaniumyl)ethyl]pentanoate

Systemtic Name: 3-oxidanylidene-2-[1-propan-2-yloxy-2-(trimethylazaniumyl)ethyl]pentanoate Openeye Name: 2-[1-isopropoxy-2-(trimethylammonio)ethyl]-3-oxo-pentanoate CAS Name: 3-oxo-2-[1-propan-2-yloxy-2-(trimethylammonio)ethyl]pentanoate IUPAC Name: 3-oxo-2-[1-propan-2-yloxy-2-(trimethylazaniumyl)ethyl]pentanoate Traditional Name: 2-[1-isopropoxy-2-(trimethylammonio)ethyl]-3-keto-valerate Formula: C13H25NO4 MolecularWeight: 259.3419

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C[N+](C)(C)C)OC(C)C)C(=O)[O-]

Isomeric SMILES

CCC(=O)C(C(C[N+](C)(C)C)OC(C)C)C(=O)[O-]

InChI

InChI=1S/C13H25NO4/c1-7-10(15)12(13(16)17)11(18-9(2)3)8-14(4,5)6/h9,11-12H,7-8H2,1-6H3