2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C22H25BrN3O5+ MolecularWeight: 491.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Br)OCCO3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Br)OCCO3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24BrN3O5/c23-16-10-20-21(29-8-7-28-20)11-17(16)24-22(27)13-26-5-3-25(4-6-26)12-15-1-2-18-19(9-15)31-14-30-18/h1-2,9-11H,3-8,12-14H2,(H,24,27)/p+1