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

Systemtic Name: 9-cyclopropyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-cyclopropyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 9-cyclopropyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 9-cyclopropyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-cyclopropyl-3-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C22H22NO5+ MolecularWeight: 380.41378

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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)C5CC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3C[NH+](CO4)C5CC5)OC

InChI

InChI=1S/C22H21NO5/c1-25-19-7-3-13(9-20(19)26-2)17-11-27-22-15(21(17)24)6-8-18-16(22)10-23(12-28-18)14-4-5-14/h3,6-9,11,14H,4-5,10,12H2,1-2H3/p+1