tert-butyl-[(2S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[(2S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[(2S)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: tert-butyl-[(2S)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: tert-butyl-[(2S)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: tert-butyl-[(2S)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]ammonium Formula: C15H25ClNO2+ MolecularWeight: 286.8175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C15H24ClNO2/c1-10-6-13(7-11(2)14(10)16)19-9-12(18)8-17-15(3,4)5/h6-7,12,17-18H,8-9H2,1-5H3/p+1/t12-/m0/s1