2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-methylpentyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-methylpentyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-methylpentyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-methylpentyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-methylpentyl]azanium Traditional Name: homoveratryl-[(2S)-2-methylpentyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C[NH2+]CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCC[C@H](C)C[NH2+]CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H27NO2/c1-5-6-13(2)12-17-10-9-14-7-8-15(18-3)16(11-14)19-4/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3/p+1/t13-/m0/s1