2-(3-bromanylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(3-bromanylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(3-bromophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide CAS Name: 2-(3-bromophenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-(3-bromophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(3-bromophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C18H22BrN4O2+ MolecularWeight: 406.29688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H21BrN4O2/c1-22-7-9-23(10-8-22)17-6-5-15(12-20-17)21-18(24)13-25-16-4-2-3-14(19)11-16/h2-6,11-12H,7-10,13H2,1H3,(H,21,24)/p+1