(E)-3-(5-bromanylfuran-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanylfuran-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-furyl)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-furanyl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromofuran-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-furyl)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C20H22BrN2O2+ MolecularWeight: 402.30488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C20H21BrN2O2/c21-19-10-8-18(25-19)9-11-20(24)23-15-13-22(14-16-23)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2/p+1/b7-4+,11-9+