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

Systemtic Name: methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]benzoate CAS Name: 3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]benzoate Traditional Name: 3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]benzoic acid methyl ester Formula: C22H28N2O2+2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2/c1-26-22(25)21-11-5-9-20(17-21)18-24-15-13-23(14-16-24)12-6-10-19-7-3-2-4-8-19/h2-11,17H,12-16,18H2,1H3/p+2/b10-6+