(E)-3-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]furan-2-yl]prop-2-enoate

Systemtic Name: (E)-3-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]furan-2-yl]prop-2-enoate Openeye Name: (E)-3-[5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-furyl]prop-2-enoate CAS Name: (E)-3-[5-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-furanyl]-2-propenoate IUPAC Name: (E)-3-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]furan-2-yl]prop-2-enoate Traditional Name: (E)-3-[5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-furyl]acrylate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=CC=C(O3)C=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c23-20(24)11-9-18-8-10-19(25-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2,(H,23,24)/b7-4+,11-9+