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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-bromophenyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-bromophenyl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(4-bromophenyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-bromophenyl)ethanone Traditional Name: 2-(4-bromophenyl)-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN2O3/c21-17-4-1-15(2-5-17)12-20(24)23-9-7-22(8-10-23)13-16-3-6-18-19(11-16)26-14-25-18/h1-6,11H,7-10,12-14H2/p+1