2-(4-bromanylphenoxy)-1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-(1H-indol-3-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C21H23BrN3O2+ MolecularWeight: 429.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O2/c22-17-5-7-18(8-6-17)27-15-21(26)25-11-9-24(10-12-25)14-16-13-23-20-4-2-1-3-19(16)20/h1-8,13,23H,9-12,14-15H2/p+1