2-(4-bromanyl-2-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(4-bromo-2-methylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-bromo-2-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C14H20BrN2O2+ MolecularWeight: 328.2248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O2/c1-11-9-12(15)3-4-13(11)19-10-14(18)17-7-5-16(2)6-8-17/h3-4,9H,5-8,10H2,1-2H3/p+1