1-[(4-butoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(4-butoxyphenyl)methyl]-4-[(E)-cinnamyl]piperazine-1,4-diium CAS Name: 1-[(4-butoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(4-butoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-(4-butoxybenzyl)-4-[(E)-cinnamyl]piperazine-1,4-diium Formula: C24H34N2O+2 MolecularWeight: 366.53956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O/c1-2-3-20-27-24-13-11-23(12-14-24)21-26-18-16-25(17-19-26)15-7-10-22-8-5-4-6-9-22/h4-14H,2-3,15-21H2,1H3/p+2/b10-7+