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

Systemtic Name: 9-(3-methoxypropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-(3-methoxypropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-(3-methoxypropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-(3-methoxypropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-(3-methoxypropyl)-3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-24-11-5-10-22-13-18-19(25-14-22)9-8-16-12-17(21(23)26-20(16)18)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13-14H2,1H3/p+1