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

Systemtic Name: 1-[(4-hexoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(4-hexoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(4-hexoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(4-hexoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(4-hexoxybenzyl)piperazin-1-ium Formula: C26H37N2O+ MolecularWeight: 393.58478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H36N2O/c1-2-3-4-8-22-29-26-15-13-25(14-16-26)23-28-20-18-27(19-21-28)17-9-12-24-10-6-5-7-11-24/h5-7,9-16H,2-4,8,17-23H2,1H3/p+1/b12-9+