2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(2-ketopyrrolidino)propyl]acetamide Formula: C19H28FN4O4S+ MolecularWeight: 427.513423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H27FN4O4S/c20-16-4-1-5-17(14-16)29(27,28)24-12-10-22(11-13-24)15-18(25)21-7-3-9-23-8-2-6-19(23)26/h1,4-5,14H,2-3,6-13,15H2,(H,21,25)/p+1