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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30NO3.C6H12O2/c1-6-7-8-15(19)13-18(2,3)12-14-9-10-16(20-4)17(11-14)21-5;1-2-3-4-5-6(7)8/h9-11,15,19H,6-8,12-13H2,1-5H3;2-5H2,1H3,(H,7,8)/q+1;/p-1