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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: N-(4-piperidinophenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H32N4O3/c30-25(26-21-5-7-22(8-6-21)29-10-2-1-3-11-29)18-28-14-12-27(13-15-28)17-20-4-9-23-24(16-20)32-19-31-23/h4-9,16H,1-3,10-15,17-19H2,(H,26,30)/p+1