2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]ethylazanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2O2/c1-9-7-11(8-10(2)13(9)14)18-6-3-12(17)16-5-4-15/h7-8H,3-6,15H2,1-2H3,(H,16,17)/p+1