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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO/c1-9-5-4-6-12(11(9)3)14-8-7-10(2)13/h4-6,10H,7-8,13H2,1-3H3/p+1/t10-/m0/s1