(5-cyano-2-fluoranyl-phenyl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C18H16FN4O+ MolecularWeight: 323.344243

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)C#N)F)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)C#N)F)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H15FN4O/c1-23(10-13-8-12(9-20)6-7-15(13)19)11-17-21-16-5-3-2-4-14(16)18(24)22-17/h2-8H,10-11H2,1H3,(H,21,22,24)/p+1