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

Systemtic Name: [(2S)-4-(2,5-dimethylphenoxy)butan-2-yl]azanium Openeye Name: [(1S)-3-(2,5-dimethylphenoxy)-1-methyl-propyl]ammonium CAS Name: [(2S)-4-(2,5-dimethylphenoxy)butan-2-yl]ammonium IUPAC Name: [(2S)-4-(2,5-dimethylphenoxy)butan-2-yl]azanium Traditional Name: [(1S)-3-(2,5-dimethylphenoxy)-1-methyl-propyl]ammonium Formula: C12H20NO+ MolecularWeight: 194.2933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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