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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClNO/c1-8(2)12(14)7-15-10-4-5-11(13)9(3)6-10/h4-6,8,12H,7,14H2,1-3H3/p+1/t12-/m1/s1