(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]azanium Traditional Name: ethyl-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H27FN3O5+ MolecularWeight: 432.465283

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(COC3=CC=C(C=C3)F)O

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C[C@H](COC3=CC=C(C=C3)F)O

InChI

InChI=1S/C22H26FN3O5/c1-4-26(11-15(27)13-31-16-7-5-14(23)6-8-16)12-21-24-18-10-20(30-3)19(29-2)9-17(18)22(28)25-21/h5-10,15,27H,4,11-13H2,1-3H3,(H,24,25,28)/p+1/t15-/m1/s1