2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(5-bromo-2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C17H24BrClN3O2+ MolecularWeight: 417.74836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrClN3O2/c1-17(2,3)20-15(23)11-21-6-8-22(9-7-21)16(24)13-10-12(18)4-5-14(13)19/h4-5,10H,6-9,11H2,1-3H3,(H,20,23)/p+1