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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloranylpyridin-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloro-2-pyridyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(5-chloro-2-pyridinyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloropyridin-2-yl)acetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

InChI

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