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

Systemtic Name: 2-[4-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C22H22BrClN3O3+ MolecularWeight: 491.78538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C22H21BrClN3O3/c1-14-16-12-15(23)6-7-19(16)30-21(14)22(29)27-10-8-26(9-11-27)13-20(28)25-18-5-3-2-4-17(18)24/h2-7,12H,8-11,13H2,1H3,(H,25,28)/p+1