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

Systemtic Name: N-[2,4-bis(4-fluorophenyl)-6-methyl-1-(4-oxidanylbutyl)piperazin-1-ium-1-yl]hexane-1-sulfonamide Openeye Name: N-[2,4-bis(4-fluorophenyl)-1-(4-hydroxybutyl)-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide CAS Name: N-[2,4-bis(4-fluorophenyl)-1-(4-hydroxybutyl)-6-methyl-1-piperazin-1-iumyl]-1-hexanesulfonamide IUPAC Name: N-[2,4-bis(4-fluorophenyl)-1-(4-hydroxybutyl)-6-methylpiperazin-1-ium-1-yl]hexane-1-sulfonamide Traditional Name: N-[2,4-bis(4-fluorophenyl)-1-(4-hydroxybutyl)-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide Formula: C27H40F2N3O3S+ MolecularWeight: 524.686606

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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)CCCCO

Isomeric SMILES

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

InChI

InChI=1S/C27H40F2N3O3S/c1-3-4-5-8-19-36(34,35)30-32(17-6-7-18-33)22(2)20-31(26-15-13-25(29)14-16-26)21-27(32)23-9-11-24(28)12-10-23/h9-16,22,27,30,33H,3-8,17-21H2,1-2H3/q+1