3-(1,3-benzodioxol-5-ylmethyl)-6-butyl-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-butyl-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-butyl-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-butyl-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-butyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-butyl-10-methyl-3-piperonyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C24H26NO5+ MolecularWeight: 408.46694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC5=C(C=C4)OCO5)C=C12)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC5=C(C=C4)OCO5)C=C12)C

InChI

InChI=1S/C24H25NO5/c1-3-4-5-17-10-22(26)30-24-15(2)23-18(9-19(17)24)12-25(13-27-23)11-16-6-7-20-21(8-16)29-14-28-20/h6-10H,3-5,11-14H2,1-2H3/p+1