2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-bromo-4-methyl-phenoxy)ethanone CAS Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-bromo-4-methylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-bromo-4-methyl-phenoxy)ethanone Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O2/c1-16-7-8-19(18(21)13-16)25-15-20(24)23-11-9-22(10-12-23)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3/p+1