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

Systemtic Name: methyl 2-methyl-5-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 5-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylate Traditional Name: 5-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H28N2O3+2 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C(=O)OC

InChI

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