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

Systemtic Name: 6-butyl-3-(furan-2-ylmethyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 6-butyl-3-(2-furylmethyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-butyl-3-(2-furanylmethyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 6-butyl-3-(furan-2-ylmethyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-butyl-3-(2-furfuryl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC=CO4)C=C12)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC=CO4)C=C12)C

InChI

InChI=1S/C21H23NO4/c1-3-4-6-15-10-19(23)26-21-14(2)20-16(9-18(15)21)11-22(13-25-20)12-17-7-5-8-24-17/h5,7-10H,3-4,6,11-13H2,1-2H3/p+1