2-hydroxyethyl(trimethyl)azanium; 2-phenylbutanoate; iodide

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; 2-phenylbutanoate; iodide Openeye Name: 2-hydroxyethyl(trimethyl)ammonium; 2-phenylbutanoate; iodide CAS Name: 2-hydroxyethyl(trimethyl)ammonium; 2-phenylbutanoate; iodide IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; 2-phenylbutanoate; iodide Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; 2-phenylbutyrate; iodide Formula: C15H25INO3- MolecularWeight: 394.26837

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)[O-].C[N+](C)(C)CCO.[I-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)[O-].C[N+](C)(C)CCO.[I-]

InChI

InChI=1S/C10H12O2.C5H14NO.HI/c1-2-9(10(11)12)8-6-4-3-5-7-8;1-6(2,3)4-5-7;/h3-7,9H,2H2,1H3,(H,11,12);7H,4-5H2,1-3H3;1H/q;+1;/p-2