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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine Formula: C27H25N4O+ MolecularWeight: 421.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4OC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4OC6=CC=CC=C65

InChI

InChI=1S/C27H24N4O/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)30-15-17-31(18-16-30)27-26-24(28-19-29-27)22-13-7-8-14-23(22)32-26/h1-14,19,25H,15-18H2/p+1