(3-oxidanylidene-1-phenyl-2-benzofuran-1-yl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: (3-oxidanylidene-1-phenyl-2-benzofuran-1-yl)-(pyridin-3-ylmethyl)azanium Openeye Name: (3-oxo-1-phenyl-isobenzofuran-1-yl)-(3-pyridylmethyl)ammonium CAS Name: (3-oxo-1-phenyl-1-isobenzofuranyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (3-oxo-1-phenyl-2-benzofuran-1-yl)-(pyridin-3-ylmethyl)azanium Traditional Name: (3-keto-1-phenyl-phthalan-1-yl)-(3-pyridylmethyl)ammonium Formula: C20H17N2O2+ MolecularWeight: 317.36118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)[NH2+]CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)[NH2+]CC4=CN=CC=C4

InChI

InChI=1S/C20H16N2O2/c23-19-17-10-4-5-11-18(17)20(24-19,16-8-2-1-3-9-16)22-14-15-7-6-12-21-13-15/h1-13,22H,14H2/p+1