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

Systemtic Name: 9-phenethyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-phenethyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 9-phenethyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 9-phenethyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-phenethyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C25H22NO3+ MolecularWeight: 384.44708

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)OC[NH+]1CCC5=CC=CC=C5

Isomeric SMILES

C1C2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)OC[NH+]1CCC5=CC=CC=C5

InChI

InChI=1S/C25H21NO3/c27-24-20-11-12-23-21(25(20)28-16-22(24)19-9-5-2-6-10-19)15-26(17-29-23)14-13-18-7-3-1-4-8-18/h1-12,16H,13-15,17H2/p+1