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

Systemtic Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine CAS Name: 4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine Formula: C20H20N5O+ MolecularWeight: 346.4057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O/c1-2-4-17-16(3-1)18-19(26-17)20(23-14-22-18)25-11-9-24(10-12-25)13-15-5-7-21-8-6-15/h1-8,14H,9-13H2/p+1