N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-benzoyl-4-bromo-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-benzoyl-4-bromophenyl)-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-benzoyl-4-bromophenyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-benzoyl-4-bromo-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C20H23BrN3O2+ MolecularWeight: 417.31952

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O2/c1-23-9-11-24(12-10-23)14-19(25)22-18-8-7-16(21)13-17(18)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,25)/p+1