(3,4-dimethoxyphenyl)methyl-dimethyl-(2-oxidanylpropyl)azanium; 2-ethylhexanoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl-dimethyl-(2-oxidanylpropyl)azanium; 2-ethylhexanoate Openeye Name: (3,4-dimethoxyphenyl)methyl-(2-hydroxypropyl)-dimethyl-ammonium; 2-ethylhexanoate CAS Name: (3,4-dimethoxyphenyl)methyl-(2-hydroxypropyl)-dimethylammonium; 2-ethylhexanoate IUPAC Name: (3,4-dimethoxyphenyl)methyl-(2-hydroxypropyl)-dimethylazanium; 2-ethylhexanoate Traditional Name: 2-ethylhexanoate; 2-hydroxypropyl-dimethyl-veratryl-ammonium Formula: C22H39NO5 MolecularWeight: 397.54876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24NO3.C8H16O2/c1-11(16)9-15(2,3)10-12-6-7-13(17-4)14(8-12)18-5;1-3-5-6-7(4-2)8(9)10/h6-8,11,16H,9-10H2,1-5H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1