2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloranyl-2,4-dimethoxy-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloranyl-2,4-dimethoxy-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloro-2,4-dimethoxy-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C22H27ClN3O5+ MolecularWeight: 448.91988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)OC

InChI

InChI=1S/C22H26ClN3O5/c1-28-19-11-20(29-2)17(10-16(19)23)24-22(27)13-26-7-5-25(6-8-26)12-15-3-4-18-21(9-15)31-14-30-18/h3-4,9-11H,5-8,12-14H2,1-2H3,(H,24,27)/p+1