3-propan-2-yl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-propan-2-yl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-isopropyl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-propan-2-yl-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-propan-2-yl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-isopropyl-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C18H18NO3+ MolecularWeight: 296.34042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC1

Isomeric SMILES

CC(C)[NH+]1CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC1

InChI

InChI=1S/C18H17NO3/c1-11(2)19-9-15-16(21-10-19)8-7-13-12-5-3-4-6-14(12)18(20)22-17(13)15/h3-8,11H,9-10H2,1-2H3/p+1