(2-chloranyl-6-fluoranyl-phenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[2-(isobutyrylamino)ethyl]ammonium Formula: C13H19ClFN2O+ MolecularWeight: 273.754163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClFN2O/c1-9(2)13(18)17-7-6-16-8-10-11(14)4-3-5-12(10)15/h3-5,9,16H,6-8H2,1-2H3,(H,17,18)/p+1