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

Systemtic Name: N-[1-cyclopropyl-2,4-bis(4-fluorophenyl)-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide Openeye Name: N-[1-cyclopropyl-2,4-bis(4-fluorophenyl)-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide CAS Name: N-[1-cyclopropyl-2,4-bis(4-fluorophenyl)-6-methyl-1-piperazin-1-iumyl]-1-hexanesulfonamide IUPAC Name: N-[1-cyclopropyl-2,4-bis(4-fluorophenyl)-6-methylpiperazin-1-ium-1-yl]hexane-1-sulfonamide Traditional Name: N-[1-cyclopropyl-2,4-bis(4-fluorophenyl)-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide Formula: C26H36F2N3O2S+ MolecularWeight: 492.644746

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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)C4CC4

Isomeric SMILES

CCCCCCS(=O)(=O)N[N+]1(C(CN(CC1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C)C4CC4

InChI

InChI=1S/C26H36F2N3O2S/c1-3-4-5-6-17-34(32,33)29-31(25-15-16-25)20(2)18-30(24-13-11-23(28)12-14-24)19-26(31)21-7-9-22(27)10-8-21/h7-14,20,25-26,29H,3-6,15-19H2,1-2H3/q+1