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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(COC1=CC(=C(C(=C1)C)Cl)C)O

Isomeric SMILES

CCC[NH2+]C[C@@H](COC1=CC(=C(C(=C1)C)Cl)C)O

InChI

InChI=1S/C14H22ClNO2/c1-4-5-16-8-12(17)9-18-13-6-10(2)14(15)11(3)7-13/h6-7,12,16-17H,4-5,8-9H2,1-3H3/p+1/t12-/m0/s1