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

Systemtic Name: 1-[4-ethyl-4-(phenylmethyl)piperazin-4-ium-1-yl]tetradecan-1-one bromide Openeye Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)tetradecan-1-one bromide CAS Name: 1-[4-ethyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-tetradecanone bromide IUPAC Name: 1-(4-benzyl-4-ethylpiperazin-4-ium-1-yl)tetradecan-1-one bromide Traditional Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)tetradecan-1-one bromide Formula: C27H47BrN2O MolecularWeight: 495.57888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47N2O.BrH/c1-3-5-6-7-8-9-10-11-12-13-17-20-27(30)28-21-23-29(4-2,24-22-28)25-26-18-15-14-16-19-26;/h14-16,18-19H,3-13,17,20-25H2,1-2H3;1H/q+1;/p-1