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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-dimethyl-(2-oxidanylhexyl)azanium; 2-ethylhexanoate Openeye Name: (3,4-dimethoxyphenyl)methyl-(2-hydroxyhexyl)-dimethyl-ammonium; 2-ethylhexanoate CAS Name: (3,4-dimethoxyphenyl)methyl-(2-hydroxyhexyl)-dimethylammonium; 2-ethylhexanoate IUPAC Name: (3,4-dimethoxyphenyl)methyl-(2-hydroxyhexyl)-dimethylazanium; 2-ethylhexanoate Traditional Name: 2-ethylhexanoate; 2-hydroxyhexyl-dimethyl-veratryl-ammonium Formula: C25H45NO5 MolecularWeight: 439.6285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30NO3.C8H16O2/c1-6-7-8-15(19)13-18(2,3)12-14-9-10-16(20-4)17(11-14)21-5;1-3-5-6-7(4-2)8(9)10/h9-11,15,19H,6-8,12-13H2,1-5H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1