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

Systemtic Name: 9-(3-oxidanylpropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-(3-hydroxypropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 9-(3-hydroxypropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 9-(3-hydroxypropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-(3-hydroxypropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C20H20NO4+ MolecularWeight: 338.3771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)OC[NH+]1CCCO

Isomeric SMILES

C1C2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)OC[NH+]1CCCO

InChI

InChI=1S/C20H19NO4/c22-10-4-9-21-11-16-18(25-13-21)8-7-15-19(23)17(12-24-20(15)16)14-5-2-1-3-6-14/h1-3,5-8,12,22H,4,9-11,13H2/p+1