(3,5-dimethoxyphenyl)methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: (3,5-dimethoxyphenyl)methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: (3,5-dimethoxyphenyl)methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: (3,5-dimethoxyphenyl)methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: (3,5-dimethoxyphenyl)methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: (3,5-dimethoxybenzyl)-[(2S)-2-ethylhexyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC(=CC(=C1)OC)OC

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC(=CC(=C1)OC)OC

InChI

InChI=1S/C17H29NO2/c1-5-7-8-14(6-2)12-18-13-15-9-16(19-3)11-17(10-15)20-4/h9-11,14,18H,5-8,12-13H2,1-4H3/p+1/t14-/m0/s1