2-methoxy-5-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-5-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 5-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-2-methoxy-phenol CAS Name: 2-methoxy-5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2-methoxy-5-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 5-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-2-methoxy-phenol Formula: C21H28N2O2+2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C21H26N2O2/c1-25-21-10-9-19(16-20(21)24)17-23-14-12-22(13-15-23)11-5-8-18-6-3-2-4-7-18/h2-10,16,24H,11-15,17H2,1H3/p+2/b8-5+