6-butyl-10-methyl-3-(3-oxidanylpropyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 6-butyl-10-methyl-3-(3-oxidanylpropyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 6-butyl-3-(3-hydroxypropyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-butyl-3-(3-hydroxypropyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 6-butyl-3-(3-hydroxypropyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-butyl-3-(3-hydroxypropyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C19H26NO4+ MolecularWeight: 332.41404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CCCO)C=C12)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CCCO)C=C12)C

InChI

InChI=1S/C19H25NO4/c1-3-4-6-14-10-17(22)24-19-13(2)18-15(9-16(14)19)11-20(12-23-18)7-5-8-21/h9-10,21H,3-8,11-12H2,1-2H3/p+1