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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-[(E)-cinnamyl]piperazin-4-ium Formula: C22H28BrN2O2+ MolecularWeight: 432.37392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O2/c1-26-21-15-19(20(23)16-22(21)27-2)17-25-13-11-24(12-14-25)10-6-9-18-7-4-3-5-8-18/h3-9,15-16H,10-14,17H2,1-2H3/p+1/b9-6+