N-(4-bromanyl-3-methyl-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C)Br

InChI

InChI=1S/C15H20BrN3O2/c1-11-9-13(3-4-14(11)16)17-15(21)10-18-5-7-19(8-6-18)12(2)20/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)/p+1