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

Systemtic Name: 9-(2,2-diphenylethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-(2,2-diphenylethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-(2,2-diphenylethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-(2,2-diphenylethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-(2,2-diphenylethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C28H28NO3+ MolecularWeight: 426.52682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27NO3/c1-2-9-22-16-27(30)32-28-23(22)14-15-26-25(28)18-29(19-31-26)17-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-16,24H,2,9,17-19H2,1H3/p+1