[(2S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium

Systemtic Name: [(2S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: [(2S)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]-isobutyl-ammonium CAS Name: [(2S)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]-isobutyl-ammonium Formula: C15H25ClNO2+ MolecularWeight: 286.8175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(C[NH2+]CC(C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H](C[NH2+]CC(C)C)O

InChI

InChI=1S/C15H24ClNO2/c1-10(2)7-17-8-13(18)9-19-14-5-11(3)15(16)12(4)6-14/h5-6,10,13,17-18H,7-9H2,1-4H3/p+1/t13-/m0/s1