[(2R)-2-(azepan-1-ium-1-yl)-2-(3-fluorophenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-fluorophenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-fluorophenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(3-fluorophenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-fluorophenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-fluorophenyl)ethyl]ammonium Formula: C14H23FN2+2 MolecularWeight: 238.344223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[NH3+])C2=CC(=CC=C2)F

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C[NH3+])C2=CC(=CC=C2)F

InChI

InChI=1S/C14H21FN2/c15-13-7-5-6-12(10-13)14(11-16)17-8-3-1-2-4-9-17/h5-7,10,14H,1-4,8-9,11,16H2/p+2/t14-/m0/s1