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

Systemtic Name: 3-(4-methoxyphenyl)-9-propan-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-isopropyl-3-(4-methoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 3-(4-methoxyphenyl)-9-propan-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 3-(4-methoxyphenyl)-9-propan-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-isopropyl-3-(4-methoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-13(2)22-10-17-19(26-12-22)9-8-16-20(23)18(11-25-21(16)17)14-4-6-15(24-3)7-5-14/h4-9,11,13H,10,12H2,1-3H3/p+1