N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-bromophenoxy)acetamide Formula: C16H24BrN2O2+ MolecularWeight: 356.27796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN2O2/c17-14-5-7-15(8-6-14)21-13-16(20)18-9-12-19-10-3-1-2-4-11-19/h5-8H,1-4,9-13H2,(H,18,20)/p+1