2-ethylhexanoate; 4-methylmorpholin-4-ium

Systemtic Name: 2-ethylhexanoate; 4-methylmorpholin-4-ium Openeye Name: 2-ethylhexanoate; 4-methylmorpholin-4-ium CAS Name: 2-ethylhexanoate; 4-methylmorpholin-4-ium IUPAC Name: 2-ethylhexanoate; 4-methylmorpholin-4-ium Traditional Name: 2-ethylhexanoate; 4-methylmorpholin-4-ium Formula: C13H27NO3 MolecularWeight: 245.35838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].C[NH+]1CCOCC1

Isomeric SMILES

CCCCC(CC)C(=O)[O-].C[NH+]1CCOCC1

InChI

InChI=1S/C8H16O2.C5H11NO/c1-3-5-6-7(4-2)8(9)10;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3,(H,9,10);2-5H2,1H3