3-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-ethyl-10-methyl-3-piperonyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C22H22NO5+ MolecularWeight: 380.41378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC5=C(C=C4)OCO5)C=C12)C

Isomeric SMILES

CCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC5=C(C=C4)OCO5)C=C12)C

InChI

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