2-ethylhexanoate; (3-methoxyphenyl)methyl-dimethyl-(2-oxidanylbutyl)azanium

Systemtic Name: 2-ethylhexanoate; (3-methoxyphenyl)methyl-dimethyl-(2-oxidanylbutyl)azanium Openeye Name: 2-ethylhexanoate; 2-hydroxybutyl-[(3-methoxyphenyl)methyl]-dimethyl-ammonium CAS Name: 2-ethylhexanoate; 2-hydroxybutyl-[(3-methoxyphenyl)methyl]-dimethylammonium IUPAC Name: 2-ethylhexanoate; 2-hydroxybutyl-[(3-methoxyphenyl)methyl]-dimethylazanium Traditional Name: 2-ethylhexanoate; 2-hydroxybutyl-m-anisyl-dimethyl-ammonium Formula: C22H39NO4 MolecularWeight: 381.54936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCC(C[N+](C)(C)CC1=CC(=CC=C1)OC)O

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCC(C[N+](C)(C)CC1=CC(=CC=C1)OC)O

InChI

InChI=1S/C14H24NO2.C8H16O2/c1-5-13(16)11-15(2,3)10-12-7-6-8-14(9-12)17-4;1-3-5-6-7(4-2)8(9)10/h6-9,13,16H,5,10-11H2,1-4H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1