ethyl 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid ethyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-2-25-21(24)19-10-16-26-20(19)17-23-14-12-22(13-15-23)11-6-9-18-7-4-3-5-8-18/h3-10,16H,2,11-15,17H2,1H3/p+1/b9-6+