2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H24FN3O3S/c1-22(15-17-6-3-2-4-7-17)20(25)16-23-10-12-24(13-11-23)28(26,27)19-9-5-8-18(21)14-19/h2-9,14H,10-13,15-16H2,1H3/p+1