[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[2-(2-fluoranylphenoxy)ethyl]-methyl-azanium

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[2-(2-fluoranylphenoxy)ethyl]-methyl-azanium Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl-[2-(2-fluorophenoxy)ethyl]-methyl-ammonium CAS Name: [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl-[2-(2-fluorophenoxy)ethyl]-methylammonium IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl-[2-(2-fluorophenoxy)ethyl]-methylazanium Traditional Name: [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl-[2-(2-fluorophenoxy)ethyl]-methyl-ammonium Formula: C20H20FN4O2+ MolecularWeight: 367.396803

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1F)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1F)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C20H19FN4O2/c1-24(12-13-27-18-9-5-3-7-16(18)21)14-19-23-17-8-4-2-6-15(17)20(26)25(19)11-10-22/h2-9H,11-14H2,1H3/p+1