tert-butyl-[3-(7-methyl-4-oxidanyl-5-oxidanylidene-furo[3,2-g]chromen-9-yl)oxy-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[3-(7-methyl-4-oxidanyl-5-oxidanylidene-furo[3,2-g]chromen-9-yl)oxy-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[2-hydroxy-3-(4-hydroxy-7-methyl-5-oxo-furo[3,2-g]chromen-9-yl)oxy-propyl]ammonium CAS Name: tert-butyl-[2-hydroxy-3-[(4-hydroxy-7-methyl-5-oxo-9-furo[3,2-g][1]benzopyranyl)oxy]propyl]ammonium IUPAC Name: tert-butyl-[2-hydroxy-3-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]azanium Traditional Name: tert-butyl-[2-hydroxy-3-(4-hydroxy-5-keto-7-methyl-furo[3,2-g]chromen-9-yl)oxy-propyl]ammonium Formula: C19H24NO6+ MolecularWeight: 362.39696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(C3=C(C(=C2O1)OCC(C[NH2+]C(C)(C)C)O)OC=C3)O

Isomeric SMILES

CC1=CC(=O)C2=C(C3=C(C(=C2O1)OCC(C[NH2+]C(C)(C)C)O)OC=C3)O

InChI

InChI=1S/C19H23NO6/c1-10-7-13(22)14-15(23)12-5-6-24-16(12)18(17(14)26-10)25-9-11(21)8-20-19(2,3)4/h5-7,11,20-21,23H,8-9H2,1-4H3/p+1