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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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