[(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]-[(2S)-pentan-2-yl]azanium

Systemtic Name: [(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]-[(2S)-pentan-2-yl]azanium Openeye Name: [(1S)-1-(2-hydroxy-4-methoxy-phenyl)ethyl]-[(1S)-1-methylbutyl]ammonium CAS Name: [(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]-[(2S)-pentan-2-yl]azanium Traditional Name: [(1S)-1-(2-hydroxy-4-methoxy-phenyl)ethyl]-[(1S)-1-methylbutyl]ammonium Formula: C14H24NO2+ MolecularWeight: 238.34586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]C(C)C1=C(C=C(C=C1)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO2/c1-5-6-10(2)15-11(3)13-8-7-12(17-4)9-14(13)16/h7-11,15-16H,5-6H2,1-4H3/p+1/t10-,11-/m0/s1