9-(1,3-benzodioxol-5-ylmethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 9-(1,3-benzodioxol-5-ylmethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-(1,3-benzodioxol-5-ylmethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-(1,3-benzodioxol-5-ylmethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-(1,3-benzodioxol-5-ylmethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-piperonyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C22H22NO5+ MolecularWeight: 380.41378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21NO5/c1-2-3-15-9-21(24)28-22-16(15)5-7-18-17(22)11-23(12-25-18)10-14-4-6-19-20(8-14)27-13-26-19/h4-9H,2-3,10-13H2,1H3/p+1