4-butyl-6-chloranyl-9-(furan-2-ylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 4-butyl-6-chloranyl-9-(furan-2-ylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-butyl-6-chloro-9-(2-furylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-butyl-6-chloro-9-(2-furanylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 4-butyl-6-chloro-9-(furan-2-ylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 4-butyl-6-chloro-9-(2-furfuryl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C20H21ClNO4+ MolecularWeight: 374.83804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CC4=CC=CO4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CC4=CC=CO4

InChI

InChI=1S/C20H20ClNO4/c1-2-3-5-13-8-18(23)26-19-15(13)9-17(21)20-16(19)11-22(12-25-20)10-14-6-4-7-24-14/h4,6-9H,2-3,5,10-12H2,1H3/p+1