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

Systemtic Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-(3-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(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O/c1-3-9-24(10-4-1)14-8-16-28-17-19-29(20-18-28)22-26-13-7-15-27(21-26)30-23-25-11-5-2-6-12-25/h1-15,21H,16-20,22-23H2/p+1/b14-8+