3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide CAS Name: 3-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]ethylsulfonyl]propionamide Formula: C17H25FN3O4S+ MolecularWeight: 386.461503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCS(=O)(=O)CCC(=O)N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCS(=O)(=O)CCC(=O)N)F

InChI

InChI=1S/C17H24FN3O4S/c1-13(22)14-2-3-16(15(18)12-14)21-7-5-20(6-8-21)9-11-26(24,25)10-4-17(19)23/h2-3,12H,4-11H2,1H3,(H2,19,23)/p+1