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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-dimethyl-(2-oxidanylbutyl)azanium; 2-ethylhexanoate Openeye Name: (3,4-dimethoxyphenyl)methyl-(2-hydroxybutyl)-dimethyl-ammonium; 2-ethylhexanoate CAS Name: (3,4-dimethoxyphenyl)methyl-(2-hydroxybutyl)-dimethylammonium; 2-ethylhexanoate IUPAC Name: (3,4-dimethoxyphenyl)methyl-(2-hydroxybutyl)-dimethylazanium; 2-ethylhexanoate Traditional Name: 2-ethylhexanoate; 2-hydroxybutyl-dimethyl-veratryl-ammonium Formula: C23H41NO5 MolecularWeight: 411.57534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26NO3.C8H16O2/c1-6-13(17)11-16(2,3)10-12-7-8-14(18-4)15(9-12)19-5;1-3-5-6-7(4-2)8(9)10/h7-9,13,17H,6,10-11H2,1-5H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1