[(2R)-1-azaniumyl-3-methyl-butan-2-yl]-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-azaniumyl-3-methyl-butan-2-yl]-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [(1R)-1-(azaniumylmethyl)-2-methyl-propyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-ammonio-3-methylbutan-2-yl]-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-azaniumyl-3-methylbutan-2-yl]-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [(1R)-1-(ammoniomethyl)-2-methyl-propyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C13H23FN2+2 MolecularWeight: 226.333523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[NH3+])[NH+](C)CC1=CC(=CC=C1)F

Isomeric SMILES

CC(C)[C@H](C[NH3+])[NH+](C)CC1=CC(=CC=C1)F

InChI

InChI=1S/C13H21FN2/c1-10(2)13(8-15)16(3)9-11-5-4-6-12(14)7-11/h4-7,10,13H,8-9,15H2,1-3H3/p+2/t13-/m0/s1