4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzene-1,2-diol

Systemtic Name: 4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzene-1,2-diol Openeye Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]benzene-1,2-diol CAS Name: 4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzene-1,2-diol IUPAC Name: 4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzene-1,2-diol Traditional Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]pyrocatechol Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C20H24N2O2/c23-19-9-8-18(15-20(19)24)16-22-13-11-21(12-14-22)10-4-7-17-5-2-1-3-6-17/h1-9,15,23-24H,10-14,16H2/p+1/b7-4+