2-(4-bromanyl-3,5-dimethyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4-bromo-3,5-dimethyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(4-bromo-3,5-dimethylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-bromo-3,5-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(4-bromo-3,5-dimethyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C15H22BrN2O2+ MolecularWeight: 342.25138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O2/c1-11-8-13(9-12(2)15(11)16)20-10-14(19)18-6-4-17(3)5-7-18/h8-9H,4-7,10H2,1-3H3/p+1