2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-olate Openeye Name: 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]benzofuro[3,2-d]pyrimidin-4-olate CAS Name: 2-[(4-benzamido-1-piperidin-1-iumyl)methyl]-4-benzofuro[3,2-d]pyrimidinolate IUPAC Name: 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-olate Traditional Name: 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]benzofuro[3,2-d]pyrimidin-4-olate Formula: C23H22N4O3 MolecularWeight: 402.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC3=NC4=C(C(=N3)[O-])OC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC3=NC4=C(C(=N3)[O-])OC5=CC=CC=C54

InChI

InChI=1S/C23H22N4O3/c28-22(15-6-2-1-3-7-15)24-16-10-12-27(13-11-16)14-19-25-20-17-8-4-5-9-18(17)30-21(20)23(29)26-19/h1-9,16H,10-14H2,(H,24,28)(H,25,26,29)