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

Systemtic Name: 9-[(4-methylphenyl)methyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-propyl-9-(p-tolylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-[(4-methylphenyl)methyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-[(4-methylphenyl)methyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-(4-methylbenzyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-3-4-17-11-21(24)26-22-18(17)9-10-20-19(22)13-23(14-25-20)12-16-7-5-15(2)6-8-16/h5-11H,3-4,12-14H2,1-2H3/p+1