2-[4-[2-(3-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[2-(3-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[2-(3-bromophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C18H27BrN3O3+ MolecularWeight: 413.32928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H26BrN3O3/c1-2-3-7-20-17(23)13-21-8-10-22(11-9-21)18(24)14-25-16-6-4-5-15(19)12-16/h4-6,12H,2-3,7-11,13-14H2,1H3,(H,20,23)/p+1