[(2S)-4-(2,3,6-trimethylphenoxy)butan-2-yl]azanium

Systemtic Name: [(2S)-4-(2,3,6-trimethylphenoxy)butan-2-yl]azanium Openeye Name: [(1S)-1-methyl-3-(2,3,6-trimethylphenoxy)propyl]ammonium CAS Name: [(2S)-4-(2,3,6-trimethylphenoxy)butan-2-yl]ammonium IUPAC Name: [(2S)-4-(2,3,6-trimethylphenoxy)butan-2-yl]azanium Traditional Name: [(1S)-1-methyl-3-(2,3,6-trimethylphenoxy)propyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO/c1-9-5-6-10(2)13(12(9)4)15-8-7-11(3)14/h5-6,11H,7-8,14H2,1-4H3/p+1/t11-/m0/s1