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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21FN2/c1-4-13(2,10-15)16(3)9-11-6-5-7-12(14)8-11/h5-8H,4,9-10,15H2,1-3H3/p+2/t13-/m1/s1