3-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]ethylsulfonyl]propanamide CAS Name: 3-[2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]ethylsulfonyl]propionamide Formula: C16H24ClFN3O3S+ MolecularWeight: 392.896463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C16H23ClFN3O3S/c17-14-2-1-3-15(18)13(14)12-21-7-5-20(6-8-21)9-11-25(23,24)10-4-16(19)22/h1-3H,4-12H2,(H2,19,22)/p+1