3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-piperonyl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C23H18NO5+ MolecularWeight: 388.39272

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC[NH+]1CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC[NH+]1CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C23H17NO5/c25-23-17-4-2-1-3-15(17)16-6-8-19-18(22(16)29-23)11-24(12-26-19)10-14-5-7-20-21(9-14)28-13-27-20/h1-9H,10-13H2/p+1