2-ethylhexanoate; 2-hydroxyethyl(dimethyl)azanium

Systemtic Name: 2-ethylhexanoate; 2-hydroxyethyl(dimethyl)azanium Openeye Name: 2-ethylhexanoate; 2-hydroxyethyl(dimethyl)ammonium CAS Name: 2-ethylhexanoate; 2-hydroxyethyl(dimethyl)ammonium IUPAC Name: 2-ethylhexanoate; 2-hydroxyethyl(dimethyl)azanium Traditional Name: 2-ethylhexanoate; 2-hydroxyethyl(dimethyl)ammonium Formula: C12H27NO3 MolecularWeight: 233.34768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C4H11NO/c1-3-5-6-7(4-2)8(9)10;1-5(2)3-4-6/h7H,3-6H2,1-2H3,(H,9,10);6H,3-4H2,1-2H3