1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]hexadecan-1-one bromide

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]hexadecan-1-one bromide Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-hexadecanone bromide IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)hexadecan-1-one bromide Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide Formula: C28H49BrN2O MolecularWeight: 509.60546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C28H49N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28(31)29-22-24-30(2,25-23-29)26-27-19-16-15-17-20-27;/h15-17,19-20H,3-14,18,21-26H2,1-2H3;1H/q+1;/p-1