(E)-3-(4-bromophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-bromophenyl)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H24BrN2O+ MolecularWeight: 412.34276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O/c23-21-11-8-20(9-12-21)10-13-22(26)25-17-15-24(16-18-25)14-4-7-19-5-2-1-3-6-19/h1-13H,14-18H2/p+1/b7-4+,13-10+