1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-1-ium CAS Name: 1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-4-imidazolyl]methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[[3-(2-fluorobenzyl)-2-mesyl-imidazol-4-yl]methyl]piperazin-1-ium Formula: C23H28FN4O2S+ MolecularWeight: 443.557423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)CN3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)CN3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27FN4O2S/c1-31(29,30)23-25-15-21(28(23)17-20-9-5-6-10-22(20)24)18-27-13-11-26(12-14-27)16-19-7-3-2-4-8-19/h2-10,15H,11-14,16-18H2,1H3/p+1