1-[4-ethyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]octadecan-1-one bromide

Systemtic Name: 1-[4-ethyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]octadecan-1-one bromide Openeye Name: 1-[4-ethyl-4-(m-tolylmethyl)piperazin-4-ium-1-yl]octadecan-1-one bromide CAS Name: 1-[4-ethyl-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-octadecanone bromide IUPAC Name: 1-[4-ethyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]octadecan-1-one bromide Traditional Name: 1-[4-ethyl-4-(3-methylbenzyl)piperazin-4-ium-1-yl]octadecan-1-one bromide Formula: C32H57BrN2O MolecularWeight: 565.71178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H57N2O.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32(35)33-24-26-34(5-2,27-25-33)29-31-22-20-21-30(3)28-31;/h20-22,28H,4-19,23-27,29H2,1-3H3;1H/q+1;/p-1