2-(4-bromanylphenoxy)-N-pyridin-1-ium-3-yl-ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-pyridin-1-ium-3-yl-ethanamide Openeye Name: 2-(4-bromophenoxy)-N-pyridin-1-ium-3-yl-acetamide CAS Name: 2-(4-bromophenoxy)-N-(3-pyridin-1-iumyl)acetamide IUPAC Name: 2-(4-bromophenoxy)-N-pyridin-1-ium-3-ylacetamide Traditional Name: 2-(4-bromophenoxy)-N-pyridin-1-ium-3-yl-acetamide Formula: C13H12BrN2O2+ MolecularWeight: 308.15058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)NC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=C[NH+]=C1)NC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H11BrN2O2/c14-10-3-5-12(6-4-10)18-9-13(17)16-11-2-1-7-15-8-11/h1-8H,9H2,(H,16,17)/p+1