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

Systemtic Name: N-[4,5-bis(4-fluorophenyl)-2-methyl-1-(4-oxidanylbutyl)piperazin-1-ium-1-yl]pentane-1-sulfonamide Openeye Name: N-[4,5-bis(4-fluorophenyl)-1-(4-hydroxybutyl)-2-methyl-piperazin-1-ium-1-yl]pentane-1-sulfonamide CAS Name: N-[4,5-bis(4-fluorophenyl)-1-(4-hydroxybutyl)-2-methyl-1-piperazin-1-iumyl]-1-pentanesulfonamide IUPAC Name: N-[4,5-bis(4-fluorophenyl)-1-(4-hydroxybutyl)-2-methylpiperazin-1-ium-1-yl]pentane-1-sulfonamide Traditional Name: N-[4,5-bis(4-fluorophenyl)-1-(4-hydroxybutyl)-2-methyl-piperazin-1-ium-1-yl]pentane-1-sulfonamide Formula: C26H38F2N3O3S+ MolecularWeight: 510.660026

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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)CCCCO

Isomeric SMILES

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

InChI

InChI=1S/C26H38F2N3O3S/c1-3-4-7-18-35(33,34)29-31(16-5-6-17-32)20-26(22-8-10-23(27)11-9-22)30(19-21(31)2)25-14-12-24(28)13-15-25/h8-15,21,26,29,32H,3-7,16-20H2,1-2H3/q+1