1-(4-but-3-enyl-4-methyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide

Systemtic Name: 1-(4-but-3-enyl-4-methyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide Openeye Name: 1-(4-but-3-enyl-4-methyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide CAS Name: 1-(4-but-3-enyl-4-methyl-1-piperazin-4-iumyl)-1-hexadecanone bromide IUPAC Name: 1-(4-but-3-enyl-4-methylpiperazin-4-ium-1-yl)hexadecan-1-one bromide Traditional Name: 1-(4-but-3-enyl-4-methyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide Formula: C25H49BrN2O MolecularWeight: 473.57336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)CCC=C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)CCC=C.[Br-]

InChI

InChI=1S/C25H49N2O.BrH/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-25(28)26-20-23-27(3,24-21-26)22-7-5-2;/h5H,2,4,6-24H2,1,3H3;1H/q+1;/p-1