N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C19H29FN3O3S+ MolecularWeight: 398.515263

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CN(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H28FN3O3S/c1-21(16-7-3-2-4-8-16)19(24)15-22-11-13-23(14-12-22)27(25,26)18-10-6-5-9-17(18)20/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3/p+1