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

Systemtic Name: 2-(2-bromanyl-4-tert-butyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(2-bromo-4-tert-butyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(2-bromo-4-tert-butylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2-bromo-4-tert-butylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(2-bromo-4-tert-butyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C17H26BrN2O2+ MolecularWeight: 370.30454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O2/c1-17(2,3)13-5-6-15(14(18)11-13)22-12-16(21)20-9-7-19(4)8-10-20/h5-6,11H,7-10,12H2,1-4H3/p+1