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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24FN3O3S/c21-19-8-6-17(7-9-19)14-22-20(25)15-23-10-12-24(13-11-23)28(26,27)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,22,25)/p+1