1-[(4-fluorophenyl)methyl]-1-methyl-4-undecylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-undecylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-undecylsulfonyl-piperazin-1-ium CAS Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-undecylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-undecylsulfonylpiperazin-1-ium Traditional Name: 1-(4-fluorobenzyl)-1-methyl-4-undecylsulfonyl-piperazin-1-ium Formula: C23H40FN2O2S+ MolecularWeight: 427.639303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCS(=O)(=O)N1CC[N+](CC1)(C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCCCCCCS(=O)(=O)N1CC[N+](CC1)(C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C23H40FN2O2S/c1-3-4-5-6-7-8-9-10-11-20-29(27,28)25-16-18-26(2,19-17-25)21-22-12-14-23(24)15-13-22/h12-15H,3-11,16-21H2,1-2H3/q+1