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

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-fluoranylphenoxy)ethyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-fluorophenoxy)ethyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-fluorophenoxy)ethyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-fluorophenoxy)ethyl]azanium Traditional Name: ethyl-[2-(4-fluorophenoxy)ethyl]-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H25FN3O4+ MolecularWeight: 402.439303

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCOC1=CC=C(C=C1)F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC[NH+](CCOC1=CC=C(C=C1)F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C21H24FN3O4/c1-4-25(9-10-29-15-7-5-14(22)6-8-15)13-20-23-17-12-19(28-3)18(27-2)11-16(17)21(26)24-20/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,23,24,26)/p+1