2-[[(2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoyl]amino]ethylazanium

Systemtic Name: 2-[[(2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoyl]amino]ethylazanium Openeye Name: 2-[[(2S)-2-(4-chloro-3,5-dimethyl-phenoxy)propanoyl]amino]ethylammonium CAS Name: 2-[[(2S)-2-(4-chloro-3,5-dimethylphenoxy)-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[[(2S)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]ethylazanium Traditional Name: 2-[[(2S)-2-(4-chloro-3,5-dimethyl-phenoxy)propanoyl]amino]ethylammonium Formula: C13H20ClN2O2+ MolecularWeight: 271.7631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NCC[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)O[C@@H](C)C(=O)NCC[NH3+]

InChI

InChI=1S/C13H19ClN2O2/c1-8-6-11(7-9(2)12(8)14)18-10(3)13(17)16-5-4-15/h6-7,10H,4-5,15H2,1-3H3,(H,16,17)/p+1/t10-/m0/s1