(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-[2-oxo-2-(5-quinolylamino)ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-oxo-2-(5-quinolinylamino)ethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-oxo-2-(quinolin-5-ylamino)ethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-cyclopropyl-[2-keto-2-(5-quinolylamino)ethyl]ammonium Formula: C21H20ClFN3O+ MolecularWeight: 384.854403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=C(C=CC=C2Cl)F)CC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1CC1[NH+](CC2=C(C=CC=C2Cl)F)CC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H19ClFN3O/c22-17-5-1-6-18(23)16(17)12-26(14-9-10-14)13-21(27)25-20-8-2-7-19-15(20)4-3-11-24-19/h1-8,11,14H,9-10,12-13H2,(H,25,27)/p+1