3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-5-phenyl-pentanoate

Systemtic Name: 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-5-phenyl-pentanoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-5-phenyl-pentanoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-5-phenylpentanoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxo-5-phenylpentanoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-5-phenyl-valerate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(C(=O)CCC1=CC=CC=C1)C(=O)[O-])O

Isomeric SMILES

C[N+](C)(C)CC(C(C(=O)CCC1=CC=CC=C1)C(=O)[O-])O

InChI

InChI=1S/C16H23NO4/c1-17(2,3)11-14(19)15(16(20)21)13(18)10-9-12-7-5-4-6-8-12/h4-8,14-15,19H,9-11H2,1-3H3