2-(azocan-1-ium-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(azocan-1-ium-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(azocan-1-ium-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-azocan-1-iumyl)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(azocan-1-ium-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(azocan-1-ium-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazino]ethanone Formula: C19H29FN3O3S+ MolecularWeight: 398.515263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H28FN3O3S/c20-17-7-6-8-18(15-17)27(25,26)23-13-11-22(12-14-23)19(24)16-21-9-4-2-1-3-5-10-21/h6-8,15H,1-5,9-14,16H2/p+1