1-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)docosan-1-one bromide

Systemtic Name: 1-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)docosan-1-one bromide Openeye Name: 1-(4-allyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one bromide CAS Name: 1-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1-docosanone bromide IUPAC Name: 1-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)docosan-1-one bromide Traditional Name: 1-(4-allyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one bromide Formula: C30H59BrN2O MolecularWeight: 543.70626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H59N2O.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)31-25-28-32(3,27-5-2)29-26-31;/h5H,2,4,6-29H2,1,3H3;1H/q+1;/p-1