[(2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-methyl-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-methyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-methylbutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-methylbutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-2-methyl-propyl]ammonium Formula: C13H21ClNO+ MolecularWeight: 242.76494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(C(C)C)[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C13H20ClNO/c1-8(2)12(15)7-16-11-5-9(3)13(14)10(4)6-11/h5-6,8,12H,7,15H2,1-4H3/p+1/t12-/m1/s1