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

Systemtic Name: 9-(2-methyl-1-oxidanyl-propan-2-yl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-(2-hydroxy-1,1-dimethyl-ethyl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-(1-hydroxy-2-methylpropan-2-yl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-(1-hydroxy-2-methylpropan-2-yl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-(2-hydroxy-1,1-dimethyl-ethyl)-4-phenyl-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)(CO)[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)OC1

Isomeric SMILES

CC(C)(CO)[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H21NO4/c1-21(2,12-23)22-11-17-18(25-13-22)9-8-15-16(10-19(24)26-20(15)17)14-6-4-3-5-7-14/h3-10,23H,11-13H2,1-2H3/p+1