N-[3-(azepan-1-ium-1-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-1-(4-fluorophenyl)methanesulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide Formula: C16H26FN2O2S+ MolecularWeight: 329.453243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNS(=O)(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

C1CCC[NH+](CC1)CCCNS(=O)(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H25FN2O2S/c17-16-8-6-15(7-9-16)14-22(20,21)18-10-5-13-19-11-3-1-2-4-12-19/h6-9,18H,1-5,10-14H2/p+1