2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloranylpyridin-3-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloranylpyridin-3-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloro-3-pyridyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-chloro-3-pyridinyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloropyridin-3-yl)acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C19H23ClN4O3+2 MolecularWeight: 390.86392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C19H21ClN4O3/c20-19-15(2-1-5-21-19)22-18(25)12-24-8-6-23(7-9-24)11-14-3-4-16-17(10-14)27-13-26-16/h1-5,10H,6-9,11-13H2,(H,22,25)/p+2