1-[(4-phenylmethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[(4-phenylmethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[(4-phenylmethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(4-phenylmethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-(4-benzoxybenzyl)-4-[(E)-cinnamyl]piperazin-4-ium Formula: C27H31N2O+ MolecularWeight: 399.54784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O/c1-3-8-24(9-4-1)12-7-17-28-18-20-29(21-19-28)22-25-13-15-27(16-14-25)30-23-26-10-5-2-6-11-26/h1-16H,17-23H2/p+1/b12-7+