2-[4-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H25BrN3O3+ MolecularWeight: 471.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

InChI

InChI=1S/C23H24BrN3O3/c1-15-3-6-18(7-4-15)25-21(28)14-26-9-11-27(12-10-26)23(29)22-16(2)19-13-17(24)5-8-20(19)30-22/h3-8,13H,9-12,14H2,1-2H3,(H,25,28)/p+1