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

Systemtic Name: 9-cyclopentyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-cyclopentyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 9-cyclopentyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 9-cyclopentyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-cyclopentyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C24H26NO5+ MolecularWeight: 408.46694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3C[NH+](CO4)C5CCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3C[NH+](CO4)C5CCCC5)OC

InChI

InChI=1S/C24H25NO5/c1-27-21-9-7-15(11-22(21)28-2)19-13-29-24-17(23(19)26)8-10-20-18(24)12-25(14-30-20)16-5-3-4-6-16/h7-11,13,16H,3-6,12,14H2,1-2H3/p+1