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

Systemtic Name: 9-cyclopentyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-cyclopentyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 9-cyclopentyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 9-cyclopentyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-cyclopentyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C22H22NO3+ MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)OC2

Isomeric SMILES

C1CCC(C1)[NH+]2CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)OC2

InChI

InChI=1S/C22H21NO3/c24-21-17-10-11-20-18(12-23(14-26-20)16-8-4-5-9-16)22(17)25-13-19(21)15-6-2-1-3-7-15/h1-3,6-7,10-11,13,16H,4-5,8-9,12,14H2/p+1