2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C21H24BrClN3O2+ MolecularWeight: 465.79116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O2/c1-14-4-3-5-19(15(14)2)24-20(27)13-25-8-10-26(11-9-25)21(28)17-12-16(22)6-7-18(17)23/h3-7,12H,8-11,13H2,1-2H3,(H,24,27)/p+1