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

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(E)-cinnamyl]-1-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(E)-cinnamyl]-1-(3,5-dimethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2CCO)CC=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)C/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C24H32N2O3/c1-28-23-15-21(16-24(17-23)29-2)18-26-13-12-25(19-22(26)10-14-27)11-6-9-20-7-4-3-5-8-20/h3-9,15-17,22,27H,10-14,18-19H2,1-2H3/p+1/b9-6+/t22-/m0/s1