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

Systemtic Name: [(2S)-4-(4-chloranyl-3,5-dimethyl-phenoxy)butan-2-yl]azanium Openeye Name: [(1S)-3-(4-chloro-3,5-dimethyl-phenoxy)-1-methyl-propyl]ammonium CAS Name: [(2S)-4-(4-chloro-3,5-dimethylphenoxy)butan-2-yl]ammonium IUPAC Name: [(2S)-4-(4-chloro-3,5-dimethylphenoxy)butan-2-yl]azanium Traditional Name: [(1S)-3-(4-chloro-3,5-dimethyl-phenoxy)-1-methyl-propyl]ammonium Formula: C12H19ClNO+ MolecularWeight: 228.73836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClNO/c1-8-6-11(7-9(2)12(8)13)15-5-4-10(3)14/h6-7,10H,4-5,14H2,1-3H3/p+1/t10-/m0/s1