2-hydroxyethyl(trimethyl)azanium; 2-[3-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; 2-[3-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 2-(3-benzoylphenyl)propanoic acid; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 2-(3-benzoylphenyl)propanoic acid; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 2-(3-benzoylphenyl)propanoic acid; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 2-(3-benzoylphenyl)propionic acid; 2-hydroxyethyl(trimethyl)ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O.C[N+](C)(C)CCO

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O.C[N+](C)(C)CCO

InChI

InChI=1S/C16H14O3.C5H14NO/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;1-6(2,3)4-5-7/h2-11H,1H3,(H,18,19);7H,4-5H2,1-3H3/q;+1