3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-(3-pyridylmethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-(3-pyridinylmethyl)-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-(3-pyridylmethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C21H17N2O3+ MolecularWeight: 345.37128

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC[NH+]1CC5=CN=CC=C5

Isomeric SMILES

C1C2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC[NH+]1CC5=CN=CC=C5

InChI

InChI=1S/C21H16N2O3/c24-21-17-6-2-1-5-15(17)16-7-8-19-18(20(16)26-21)12-23(13-25-19)11-14-4-3-9-22-10-14/h1-10H,11-13H2/p+1