(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-cyclohexyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-cyclohexyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-cyclohexyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-cyclohexyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-cyclohexyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-cyclohexyl-(4-fluorobenzyl)ammonium Formula: C22H24ClFN3O+ MolecularWeight: 400.896863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC=C(C=C2)F)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC=C(C=C2)F)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C22H23ClFN3O/c23-16-8-11-19-20(12-16)25-21(26-22(19)28)14-27(18-4-2-1-3-5-18)13-15-6-9-17(24)10-7-15/h6-12,18H,1-5,13-14H2,(H,25,26,28)/p+1