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

Systemtic Name: [(2S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2S)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2S)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]-isopropyl-ammonium Formula: C14H23ClNO2+ MolecularWeight: 272.79092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClNO2/c1-9(2)16-7-12(17)8-18-13-5-10(3)14(15)11(4)6-13/h5-6,9,12,16-17H,7-8H2,1-4H3/p+1/t12-/m0/s1