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

Systemtic Name: 2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(5-bromo-2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C16H22BrClN3O2+ MolecularWeight: 403.72178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrClN3O2/c1-11(2)19-15(22)10-20-5-7-21(8-6-20)16(23)13-9-12(17)3-4-14(13)18/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22)/p+1