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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-(3-ethoxy-4-methoxy-benzyl)piperazine-1,4-diium Formula: C23H32N2O2+2 MolecularWeight: 368.51238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C23H30N2O2/c1-3-27-23-18-21(11-12-22(23)26-2)19-25-16-14-24(15-17-25)13-7-10-20-8-5-4-6-9-20/h4-12,18H,3,13-17,19H2,1-2H3/p+2/b10-7+