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

Systemtic Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[4-(3-fluorophenyl)sulfonylpiperazino]-2-piperidin-1-ium-1-yl-ethanone Formula: C17H25FN3O3S+ MolecularWeight: 370.462103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H24FN3O3S/c18-15-5-4-6-16(13-15)25(23,24)21-11-9-20(10-12-21)17(22)14-19-7-2-1-3-8-19/h4-6,13H,1-3,7-12,14H2/p+1