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

Systemtic Name: 2-ethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-benzofuro[3,2-d]pyrimidine CAS Name: 2-ethyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-benzofuro[3,2-d]pyrimidine Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O/c1-2-20-24-21-18-10-6-7-11-19(18)28-22(21)23(25-20)27-14-12-26(13-15-27)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3/p+1