[(2S)-4-(3,4-dimethylphenoxy)butan-2-yl]azanium

Systemtic Name: [(2S)-4-(3,4-dimethylphenoxy)butan-2-yl]azanium Openeye Name: [(1S)-3-(3,4-dimethylphenoxy)-1-methyl-propyl]ammonium CAS Name: [(2S)-4-(3,4-dimethylphenoxy)butan-2-yl]ammonium IUPAC Name: [(2S)-4-(3,4-dimethylphenoxy)butan-2-yl]azanium Traditional Name: [(1S)-3-(3,4-dimethylphenoxy)-1-methyl-propyl]ammonium Formula: C12H20NO+ MolecularWeight: 194.2933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC(C)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC[C@H](C)[NH3+])C

InChI

InChI=1S/C12H19NO/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13/h4-5,8,11H,6-7,13H2,1-3H3/p+1/t11-/m0/s1