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

Systemtic Name: [(2S)-2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)phenyl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-[4-(4-chloro-3,5-dimethyl-phenoxy)phenyl]-2-hydroxy-propyl]ammonium CAS Name: [(2S)-2-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-2-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-hydroxypropyl]azanium Traditional Name: [(2S)-2-[4-(4-chloro-3,5-dimethyl-phenoxy)phenyl]-2-hydroxy-propyl]ammonium Formula: C17H21ClNO2+ MolecularWeight: 306.80714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=CC=C(C=C2)C(C)(C[NH3+])O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=CC=C(C=C2)[C@@](C)(C[NH3+])O

InChI

InChI=1S/C17H20ClNO2/c1-11-8-15(9-12(2)16(11)18)21-14-6-4-13(5-7-14)17(3,20)10-19/h4-9,20H,10,19H2,1-3H3/p+1/t17-/m1/s1