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

Systemtic Name: 9-(2-methylpropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-isobutyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 9-(2-methylpropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 9-(2-methylpropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-isobutyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-14(2)10-22-11-17-19(25-13-22)9-8-16-20(23)18(12-24-21(16)17)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3/p+1