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

Systemtic Name: 2-ethoxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-2-ethoxy-phenol CAS Name: 2-ethoxy-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-2-ethoxy-phenol Formula: C22H30N2O2+2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-2-26-22-17-20(10-11-21(22)25)18-24-15-13-23(14-16-24)12-6-9-19-7-4-3-5-8-19/h3-11,17,25H,2,12-16,18H2,1H3/p+2/b9-6+