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

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]tetradecan-1-one bromide Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)tetradecan-1-one bromide CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-tetradecanone bromide IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)tetradecan-1-one bromide Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)tetradecan-1-one bromide Formula: C26H45BrN2O MolecularWeight: 481.5523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-16-19-26(29)27-20-22-28(2,23-21-27)24-25-17-14-13-15-18-25;/h13-15,17-18H,3-12,16,19-24H2,1-2H3;1H/q+1;/p-1