3-(2,2-diphenylethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-(2,2-diphenylethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-(2,2-diphenylethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-(2,2-diphenylethyl)-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-(2,2-diphenylethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-(2,2-diphenylethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C29H24NO3+ MolecularWeight: 434.50576

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC[NH+]1CC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC[NH+]1CC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H23NO3/c31-29-24-14-8-7-13-22(24)23-15-16-27-26(28(23)33-29)18-30(19-32-27)17-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-16,25H,17-19H2/p+1