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

Systemtic Name: 9-cyclohexyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-cyclohexyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 9-cyclohexyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 9-cyclohexyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-cyclohexyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C25H28NO5+ MolecularWeight: 422.49352

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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)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3C[NH+](CO4)C5CCCCC5)OC

InChI

InChI=1S/C25H27NO5/c1-28-22-10-8-16(12-23(22)29-2)20-14-30-25-18(24(20)27)9-11-21-19(25)13-26(15-31-21)17-6-4-3-5-7-17/h8-12,14,17H,3-7,13,15H2,1-2H3/p+1