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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine Formula: C21H21N4O+ MolecularWeight: 345.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C21H20N4O/c1-2-6-16(7-3-1)14-24-10-12-25(13-11-24)21-20-19(22-15-23-21)17-8-4-5-9-18(17)26-20/h1-9,15H,10-14H2/p+1