methyl 5-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H26N2O3+2 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3/c1-24-20(23)19-10-9-18(25-19)16-22-14-12-21(13-15-22)11-5-8-17-6-3-2-4-7-17/h2-10H,11-16H2,1H3/p+2/b8-5+