[(2S)-2-(azaniumylmethyl)-3-(4-fluorophenyl)-2-methyl-propyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-(azaniumylmethyl)-3-(4-fluorophenyl)-2-methyl-propyl]-dimethyl-azanium Openeye Name: [(2S)-2-(azaniumylmethyl)-3-(4-fluorophenyl)-2-methyl-propyl]-dimethyl-ammonium CAS Name: [(2S)-2-(ammoniomethyl)-3-(4-fluorophenyl)-2-methylpropyl]-dimethylammonium IUPAC Name: [(2S)-2-(azaniumylmethyl)-3-(4-fluorophenyl)-2-methylpropyl]-dimethylazanium Traditional Name: [(2S)-2-(ammoniomethyl)-3-(4-fluorophenyl)-2-methyl-propyl]-dimethyl-ammonium Formula: C13H23FN2+2 MolecularWeight: 226.333523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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