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

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]decan-1-one bromide Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)decan-1-one bromide CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-decanone bromide IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)decan-1-one bromide Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)decan-1-one bromide Formula: C22H37BrN2O MolecularWeight: 425.44598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N2O.BrH/c1-3-4-5-6-7-8-12-15-22(25)23-16-18-24(2,19-17-23)20-21-13-10-9-11-14-21;/h9-11,13-14H,3-8,12,15-20H2,1-2H3;1H/q+1;/p-1