N-[2,4-bis(4-fluorophenyl)-1-(2-hydroxyethyl)-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide

Systemtic Name: N-[2,4-bis(4-fluorophenyl)-1-(2-hydroxyethyl)-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide Openeye Name: N-[2,4-bis(4-fluorophenyl)-1-(2-hydroxyethyl)-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide CAS Name: N-[2,4-bis(4-fluorophenyl)-1-(2-hydroxyethyl)-6-methyl-1-piperazin-1-iumyl]-1-hexanesulfonamide IUPAC Name: N-[2,4-bis(4-fluorophenyl)-1-(2-hydroxyethyl)-6-methylpiperazin-1-ium-1-yl]hexane-1-sulfonamide Traditional Name: N-[2,4-bis(4-fluorophenyl)-1-(2-hydroxyethyl)-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide Formula: C25H36F2N3O3S+ MolecularWeight: 496.633446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)N[N+]1(C(CN(CC1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C)CCO

Isomeric SMILES

CCCCCCS(=O)(=O)N[N+]1(C(CN(CC1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C)CCO

InChI

InChI=1S/C25H36F2N3O3S/c1-3-4-5-6-17-34(32,33)28-30(15-16-31)20(2)18-29(24-13-11-23(27)12-14-24)19-25(30)21-7-9-22(26)10-8-21/h7-14,20,25,28,31H,3-6,15-19H2,1-2H3/q+1