(3-bromanyl-4-fluoranyl-phenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[2-(isobutyrylamino)ethyl]ammonium Formula: C13H19BrFN2O+ MolecularWeight: 318.205163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]CC1=CC(=C(C=C1)F)Br

Isomeric SMILES

CC(C)C(=O)NCC[NH2+]CC1=CC(=C(C=C1)F)Br

InChI

InChI=1S/C13H18BrFN2O/c1-9(2)13(18)17-6-5-16-8-10-3-4-12(15)11(14)7-10/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18)/p+1