3-(furan-2-ylmethyl)-11-methyl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-(furan-2-ylmethyl)-11-methyl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-(2-furylmethyl)-11-methyl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-(2-furanylmethyl)-11-methyl-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-(furan-2-ylmethyl)-11-methyl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-(2-furfuryl)-11-methyl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C21H18NO4+ MolecularWeight: 348.37192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C[NH+](CO2)CC3=CC=CO3)C4=C1C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=CC2=C(C[NH+](CO2)CC3=CC=CO3)C4=C1C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C21H17NO4/c1-13-9-18-17(11-22(12-25-18)10-14-5-4-8-24-14)20-19(13)15-6-2-3-7-16(15)21(23)26-20/h2-9H,10-12H2,1H3/p+1