2-[4-[2-(3-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[2-(3-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[2-(3-bromophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C18H27BrN3O3+ MolecularWeight: 413.32928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H26BrN3O3/c1-18(2,3)20-16(23)12-21-7-9-22(10-8-21)17(24)13-25-15-6-4-5-14(19)11-15/h4-6,11H,7-10,12-13H2,1-3H3,(H,20,23)/p+1