2-ethylhexanoate; 2-hydroxyethyl(methyl)azanium

Systemtic Name: 2-ethylhexanoate; 2-hydroxyethyl(methyl)azanium Openeye Name: 2-ethylhexanoate; 2-hydroxyethyl(methyl)ammonium CAS Name: 2-ethylhexanoate; 2-hydroxyethyl(methyl)ammonium IUPAC Name: 2-ethylhexanoate; 2-hydroxyethyl(methyl)azanium Traditional Name: 2-ethylhexanoate; 2-hydroxyethyl(methyl)ammonium Formula: C11H25NO3 MolecularWeight: 219.3211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].C[NH2+]CCO

Isomeric SMILES

CCCCC(CC)C(=O)[O-].C[NH2+]CCO

InChI

InChI=1S/C8H16O2.C3H9NO/c1-3-5-6-7(4-2)8(9)10;1-4-2-3-5/h7H,3-6H2,1-2H3,(H,9,10);4-5H,2-3H2,1H3