2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C20H21N5O2+2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C5=CC=CC=[NH+]5

InChI

InChI=1S/C20H19N5O2/c26-20-19-18(14-5-1-2-6-15(14)27-19)22-16(23-20)13-24-9-11-25(12-10-24)17-7-3-4-8-21-17/h1-8H,9-13H2,(H,22,23,26)/p+2