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

Systemtic Name: 2-ethylhexanoate; (3-methoxyphenyl)methyl-dimethyl-(2-oxidanylpropyl)azanium Openeye Name: 2-ethylhexanoate; 2-hydroxypropyl-[(3-methoxyphenyl)methyl]-dimethyl-ammonium CAS Name: 2-ethylhexanoate; 2-hydroxypropyl-[(3-methoxyphenyl)methyl]-dimethylammonium IUPAC Name: 2-ethylhexanoate; 2-hydroxypropyl-[(3-methoxyphenyl)methyl]-dimethylazanium Traditional Name: 2-ethylhexanoate; 2-hydroxypropyl-m-anisyl-dimethyl-ammonium Formula: C21H37NO4 MolecularWeight: 367.52278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22NO2.C8H16O2/c1-11(15)9-14(2,3)10-12-6-5-7-13(8-12)16-4;1-3-5-6-7(4-2)8(9)10/h5-8,11,15H,9-10H2,1-4H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1