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

Systemtic Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-homoveratryl-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H23NO5/c1-14-10-21(24)28-22-16(14)5-7-18-17(22)12-23(13-27-18)9-8-15-4-6-19(25-2)20(11-15)26-3/h4-7,10-11H,8-9,12-13H2,1-3H3/p+1