2-[4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H29BrN3O4+ MolecularWeight: 491.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C23H28BrN3O4/c1-16-4-6-18(7-5-16)25-22(28)15-26-8-10-27(11-9-26)23(29)13-17-12-20(30-2)21(31-3)14-19(17)24/h4-7,12,14H,8-11,13,15H2,1-3H3,(H,25,28)/p+1