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

Systemtic Name: 4-bromanyl-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 4-bromo-N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 4-bromo-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 4-bromo-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: 4-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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O2/c23-20-10-8-19(9-11-20)22(28)24-17-21(27)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H,24,28)/p+1/b7-4+