4-decylsulfonyl-1-ethyl-1-prop-2-enyl-piperazin-1-ium bromide

Systemtic Name: 4-decylsulfonyl-1-ethyl-1-prop-2-enyl-piperazin-1-ium bromide Openeye Name: 1-allyl-4-decylsulfonyl-1-ethyl-piperazin-1-ium bromide CAS Name: 4-decylsulfonyl-1-ethyl-1-prop-2-enylpiperazin-1-ium bromide IUPAC Name: 4-decylsulfonyl-1-ethyl-1-prop-2-enylpiperazin-1-ium bromide Traditional Name: 1-allyl-4-decylsulfonyl-1-ethyl-piperazin-1-ium bromide Formula: C19H39BrN2O2S MolecularWeight: 439.49416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCS(=O)(=O)N1CC[N+](CC1)(CC)CC=C.[Br-]

Isomeric SMILES

CCCCCCCCCCS(=O)(=O)N1CC[N+](CC1)(CC)CC=C.[Br-]

InChI

InChI=1S/C19H39N2O2S.BrH/c1-4-7-8-9-10-11-12-13-19-24(22,23)20-14-17-21(6-3,16-5-2)18-15-20;/h5H,2,4,6-19H2,1,3H3;1H/q+1;/p-1