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

Systemtic Name: 2-methyl-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-methyl-benzofuro[3,2-d]pyrimidine CAS Name: 2-methyl-4-[4-(3-phenylprop-2-enyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 2-methyl-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-methyl-benzofuro[3,2-d]pyrimidine Formula: C24H25N4O+ MolecularWeight: 385.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)OC5=CC=CC=C52

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)OC5=CC=CC=C52

InChI

InChI=1S/C24H24N4O/c1-18-25-22-20-11-5-6-12-21(20)29-23(22)24(26-18)28-16-14-27(15-17-28)13-7-10-19-8-3-2-4-9-19/h2-12H,13-17H2,1H3/p+1