2-(4-bromanyl-2,6-dimethyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C14H20BrN2O2+ MolecularWeight: 328.2248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CC[NH2+]CC2)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CC[NH2+]CC2)C)Br

InChI

InChI=1S/C14H19BrN2O2/c1-10-7-12(15)8-11(2)14(10)19-9-13(18)17-5-3-16-4-6-17/h7-8,16H,3-6,9H2,1-2H3/p+1