[(1S)-1-(2-chloranyl-6-fluoranyl-phenyl)-2-(quinazolin-4-ylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-chloranyl-6-fluoranyl-phenyl)-2-(quinazolin-4-ylamino)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-chloro-6-fluoro-phenyl)-2-(quinazolin-4-ylamino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-chloro-6-fluorophenyl)-2-(4-quinazolinylamino)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-chloro-6-fluorophenyl)-2-(quinazolin-4-ylamino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chloro-6-fluoro-phenyl)-2-(quinazolin-4-ylamino)ethyl]-dimethyl-ammonium Formula: C18H19ClFN4+ MolecularWeight: 345.821663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=NC=NC2=CC=CC=C21)C3=C(C=CC=C3Cl)F

Isomeric SMILES

C[NH+](C)[C@H](CNC1=NC=NC2=CC=CC=C21)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H18ClFN4/c1-24(2)16(17-13(19)7-5-8-14(17)20)10-21-18-12-6-3-4-9-15(12)22-11-23-18/h3-9,11,16H,10H2,1-2H3,(H,21,22,23)/p+1/t16-/m1/s1