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

Systemtic Name: 2-(2-bromanyl-4-tert-butyl-phenoxy)-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-(2-bromo-4-tert-butyl-phenoxy)-N-(4-methylpiperazin-4-ium-1-yl)acetamide CAS Name: 2-(2-bromo-4-tert-butylphenoxy)-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-(2-bromo-4-tert-butylphenoxy)-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-(2-bromo-4-tert-butyl-phenoxy)-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C17H27BrN3O2+ MolecularWeight: 385.31918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NN2CC[NH+](CC2)C)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NN2CC[NH+](CC2)C)Br

InChI

InChI=1S/C17H26BrN3O2/c1-17(2,3)13-5-6-15(14(18)11-13)23-12-16(22)19-21-9-7-20(4)8-10-21/h5-6,11H,7-10,12H2,1-4H3,(H,19,22)/p+1