3-phenyl-9-propan-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one

Systemtic Name: 3-phenyl-9-propan-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-isopropyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 3-phenyl-9-propan-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 3-phenyl-9-propan-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-isopropyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C20H20NO3+ MolecularWeight: 322.3777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)OC1

Isomeric SMILES

CC(C)[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C20H19NO3/c1-13(2)21-10-16-18(24-12-21)9-8-15-19(22)17(11-23-20(15)16)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3/p+1