1-[(2,5-dimethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(2,5-dimethoxybenzyl)piperazin-1-ium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-25-21-10-11-22(26-2)20(17-21)18-24-15-13-23(14-16-24)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16,18H2,1-2H3/p+1/b9-6+