(2S)-2-(4-fluoranylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-(4-fluoranylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-propanone IUPAC Name: (2S)-2-(4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Formula: C15H22FN2O2+ MolecularWeight: 281.345783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC[NH+](CC1)C)OC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)N1CCC[NH+](CC1)C)OC2=CC=C(C=C2)F

InChI

InChI=1S/C15H21FN2O2/c1-12(20-14-6-4-13(16)5-7-14)15(19)18-9-3-8-17(2)10-11-18/h4-7,12H,3,8-11H2,1-2H3/p+1/t12-/m0/s1