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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: N-(4-methoxyphenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4/c1-26-18-5-3-17(4-6-18)22-21(25)14-24-10-8-23(9-11-24)13-16-2-7-19-20(12-16)28-15-27-19/h2-7,12H,8-11,13-15H2,1H3,(H,22,25)/p+1