N-(5-bromanylpyridin-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide Formula: C20H24BrN4O+ MolecularWeight: 416.33476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Br)CC=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Br)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H23BrN4O/c21-18-8-9-19(22-15-18)23-20(26)16-25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,22,23,26)/p+1/b7-4+