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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-iodanylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-iodophenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(2-iodophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-iodophenyl)acetamide Traditional Name: N-(2-iodophenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C20H23IN3O3+ MolecularWeight: 480.31939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2I)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2I)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22IN3O3/c21-16-3-1-2-4-17(16)22-20(25)13-24-9-7-23(8-10-24)12-15-5-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2,(H,22,25)/p+1