2-(piperidin-1-ium-1-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-olate Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)benzofuro[3,2-d]pyrimidin-4-olate CAS Name: 2-(1-piperidin-1-iumylmethyl)-4-benzofuro[3,2-d]pyrimidinolate IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-olate Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)benzofuro[3,2-d]pyrimidin-4-olate Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C(=N2)[O-])OC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=N2)[O-])OC4=CC=CC=C43

InChI

InChI=1S/C16H17N3O2/c20-16-15-14(11-6-2-3-7-12(11)21-15)17-13(18-16)10-19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-10H2,(H,17,18,20)