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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-3-27-22-12-11-21(18-23(22)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+