3-bromanyl-2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 3-bromanyl-2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 3-bromo-2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 3-bromo-2,5-dimethoxy-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 3-bromo-2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 3-bromo-2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C21H27BrN3O3+ MolecularWeight: 449.36138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OC)Br

InChI

InChI=1S/C21H26BrN3O3/c1-27-17-14-18(20(28-2)19(22)15-17)21(26)23-8-9-24-10-12-25(13-11-24)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)/p+1