1-[4-ethyl-4-(phenylmethyl)piperazin-4-ium-1-yl]decan-1-one bromide

Systemtic Name: 1-[4-ethyl-4-(phenylmethyl)piperazin-4-ium-1-yl]decan-1-one bromide Openeye Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)decan-1-one bromide CAS Name: 1-[4-ethyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-decanone bromide IUPAC Name: 1-(4-benzyl-4-ethylpiperazin-4-ium-1-yl)decan-1-one bromide Traditional Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)decan-1-one bromide Formula: C23H39BrN2O MolecularWeight: 439.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N2O.BrH/c1-3-5-6-7-8-9-13-16-23(26)24-17-19-25(4-2,20-18-24)21-22-14-11-10-12-15-22;/h10-12,14-15H,3-9,13,16-21H2,1-2H3;1H/q+1;/p-1