[(2S)-4-(2,3,5-trimethylphenoxy)butan-2-yl]azanium

Systemtic Name: [(2S)-4-(2,3,5-trimethylphenoxy)butan-2-yl]azanium Openeye Name: [(1S)-1-methyl-3-(2,3,5-trimethylphenoxy)propyl]ammonium CAS Name: [(2S)-4-(2,3,5-trimethylphenoxy)butan-2-yl]ammonium IUPAC Name: [(2S)-4-(2,3,5-trimethylphenoxy)butan-2-yl]azanium Traditional Name: [(1S)-1-methyl-3-(2,3,5-trimethylphenoxy)propyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO/c1-9-7-10(2)12(4)13(8-9)15-6-5-11(3)14/h7-8,11H,5-6,14H2,1-4H3/p+1/t11-/m0/s1