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

Systemtic Name: 2-ethyl-4-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(4-cinnamylpiperazin-4-ium-1-yl)-2-ethyl-benzofuro[3,2-d]pyrimidine CAS Name: 2-ethyl-4-[4-(3-phenylprop-2-enyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 2-ethyl-4-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(4-cinnamylpiperazin-4-ium-1-yl)-2-ethyl-benzofuro[3,2-d]pyrimidine Formula: C25H27N4O+ MolecularWeight: 399.50808

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O/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/p+1