2-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine chloride

Systemtic Name: 2-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-ethyl-benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-ethyl-benzofuro[3,2-d]pyrimidine chloride Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)OC5=CC=CC=C52.[Cl-]

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)OC5=CC=CC=C52.[Cl-]

InChI

InChI=1S/C25H26N4O.ClH/c1-2-22-26-23-20-12-6-7-13-21(20)30-24(23)25(27-22)29-17-15-28(16-18-29)14-8-11-19-9-4-3-5-10-19;/h3-13H,2,14-18H2,1H3;1H/b11-8+;