2-methylpropyl-[(2S)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]azanium

Systemtic Name: 2-methylpropyl-[(2S)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-isobutyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-isobutyl-ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(C[NH2+]CC(C)C)O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-11(2)8-17-9-15(18)10-19-16-7-12(3)6-13(4)14(16)5/h6-7,11,15,17-18H,8-10H2,1-5H3/p+1/t15-/m0/s1