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

Systemtic Name: tert-butyl-[(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: tert-butyl-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: tert-butyl-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]azanium Traditional Name: tert-butyl-[(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]ammonium Formula: C14H23ClNO2+ MolecularWeight: 272.79092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH2+]C(C)(C)C)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH2+]C(C)(C)C)O)Cl

InChI

InChI=1S/C14H22ClNO2/c1-10-7-12(5-6-13(10)15)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3/p+1/t11-/m0/s1