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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2-bromanyl-4-tert-butyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2-bromo-4-tert-butyl-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(2-bromo-4-tert-butylphenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2-bromo-4-tert-butylphenoxy)ethanone Traditional Name: 2-(2-bromo-4-tert-butyl-phenoxy)-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C24H30BrN2O4+ MolecularWeight: 490.41

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C24H29BrN2O4/c1-24(2,3)18-5-7-20(19(25)13-18)29-15-23(28)27-10-8-26(9-11-27)14-17-4-6-21-22(12-17)31-16-30-21/h4-7,12-13H,8-11,14-16H2,1-3H3/p+1