2-[4-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C24H27BrN3O3+ MolecularWeight: 485.39348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrN3O3/c1-15-5-4-6-16(2)22(15)26-21(29)14-27-9-11-28(12-10-27)24(30)23-17(3)19-13-18(25)7-8-20(19)31-23/h4-8,13H,9-12,14H2,1-3H3,(H,26,29)/p+1