1-[4-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C20H21BrN2O3/c1-14(24)15-2-4-17(5-3-15)23-8-6-22(7-9-23)12-16-10-19-20(11-18(16)21)26-13-25-19/h2-5,10-11H,6-9,12-13H2,1H3/p+1