(2S)-1-(azepan-1-ium-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-[(2-fluorophenyl)methoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-fluorobenzyl)oxy-propan-2-ol Formula: C16H25FNO2+ MolecularWeight: 282.373603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COCC2=CC=CC=C2F)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COCC2=CC=CC=C2F)O

InChI

InChI=1S/C16H24FNO2/c17-16-8-4-3-7-14(16)12-20-13-15(19)11-18-9-5-1-2-6-10-18/h3-4,7-8,15,19H,1-2,5-6,9-13H2/p+1/t15-/m0/s1