3-bromanyl-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 3-bromo-N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 3-bromo-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: 3-bromo-N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O2/c23-20-10-4-9-19(16-20)22(28)24-17-21(27)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-10,16H,11-15,17H2,(H,24,28)/p+1/b8-5+