(2-chloranyl-6-fluoranyl-phenyl)methyl-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl]-methyl-ammonium Formula: C19H17ClFN4O+ MolecularWeight: 371.815883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C19H16ClFN4O/c1-24(11-14-15(20)6-4-7-16(14)21)12-18-23-17-8-3-2-5-13(17)19(26)25(18)10-9-22/h2-8H,10-12H2,1H3/p+1