1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-bromanyl-2-chloranyl-phenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-bromanyl-2-chloranyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-bromo-2-chloro-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(4-bromo-2-chlorophenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-bromo-2-chlorophenoxy)ethanone Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C20H21BrClN2O4+ MolecularWeight: 468.74874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C20H20BrClN2O4/c21-15-2-4-17(16(22)10-15)26-12-20(25)24-7-5-23(6-8-24)11-14-1-3-18-19(9-14)28-13-27-18/h1-4,9-10H,5-8,11-13H2/p+1