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

Systemtic Name: 9-[(3-methoxyphenyl)methyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-[(3-methoxyphenyl)methyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-[(3-methoxyphenyl)methyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-[(3-methoxyphenyl)methyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-m-anisyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C22H23NO4/c1-3-5-16-11-21(24)27-22-18(16)8-9-20-19(22)13-23(14-26-20)12-15-6-4-7-17(10-15)25-2/h4,6-11H,3,5,12-14H2,1-2H3/p+1