2-(4-bromanyl-3,5-dimethyl-phenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-phenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-bromo-3,5-dimethyl-phenoxy)ethanone CAS Name: 2-(4-bromo-3,5-dimethylphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-bromo-3,5-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-bromo-3,5-dimethyl-phenoxy)ethanone Formula: C21H26BrN2O2+ MolecularWeight: 418.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25BrN2O2/c1-16-12-19(13-17(2)21(16)22)26-15-20(25)24-10-8-23(9-11-24)14-18-6-4-3-5-7-18/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1