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

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-(1-piperidin-1-iumylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

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)/p+1