2-ethylhexanoate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 2-ethylhexanoate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 2-ethylhexanoate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 2-ethylhexanoate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 2-ethylhexanoate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 2-ethylhexanoate; 2-hydroxyethyl(trimethyl)ammonium Formula: C13H29NO3 MolecularWeight: 247.37426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO

Isomeric SMILES

CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO

InChI

InChI=1S/C8H16O2.C5H14NO/c1-3-5-6-7(4-2)8(9)10;1-6(2,3)4-5-7/h7H,3-6H2,1-2H3,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1