N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C16H25FN3O3S+ MolecularWeight: 358.451403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H24FN3O3S/c1-13(14-4-6-15(17)7-5-14)18-16(21)12-19-8-3-9-20(11-10-19)24(2,22)23/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)/p+1/t13-/m0/s1