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

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-(3,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C23H32N2O3+2 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3/c1-26-21-16-20(17-22(27-2)23(21)28-3)18-25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19/h4-10,16-17H,11-15,18H2,1-3H3/p+2/b10-7+