2-[4-(3-bromanyl-2,5-dimethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(3-bromanyl-2,5-dimethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(3-bromo-2,5-dimethoxy-benzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(3-bromo-2,5-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(3-bromo-2,5-dimethoxy-benzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H29BrN3O4+ MolecularWeight: 491.39806

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=CC(=CC(=C3OC)Br)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3OC)Br)OC

InChI

InChI=1S/C23H28BrN3O4/c1-15-6-5-7-16(2)21(15)25-20(28)14-26-8-10-27(11-9-26)23(29)18-12-17(30-3)13-19(24)22(18)31-4/h5-7,12-13H,8-11,14H2,1-4H3,(H,25,28)/p+1