N-[4,5-bis(4-fluorophenyl)-2-methyl-1-(3-oxidanylpropyl)piperazin-1-ium-1-yl]pentane-1-sulfonamide

Systemtic Name: N-[4,5-bis(4-fluorophenyl)-2-methyl-1-(3-oxidanylpropyl)piperazin-1-ium-1-yl]pentane-1-sulfonamide Openeye Name: N-[4,5-bis(4-fluorophenyl)-1-(3-hydroxypropyl)-2-methyl-piperazin-1-ium-1-yl]pentane-1-sulfonamide CAS Name: N-[4,5-bis(4-fluorophenyl)-1-(3-hydroxypropyl)-2-methyl-1-piperazin-1-iumyl]-1-pentanesulfonamide IUPAC Name: N-[4,5-bis(4-fluorophenyl)-1-(3-hydroxypropyl)-2-methylpiperazin-1-ium-1-yl]pentane-1-sulfonamide Traditional Name: N-[4,5-bis(4-fluorophenyl)-1-(3-hydroxypropyl)-2-methyl-piperazin-1-ium-1-yl]pentane-1-sulfonamide Formula: C25H36F2N3O3S+ MolecularWeight: 496.633446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)N[N+]1(CC(N(CC1C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCCO

Isomeric SMILES

CCCCCS(=O)(=O)N[N+]1(CC(N(CC1C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCCO

InChI

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