(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(5-quinolylamino)ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(5-quinolinylamino)propan-2-yl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[(1S)-2-keto-1-methyl-2-(5-quinolylamino)ethyl]-methyl-ammonium Formula: C20H20ClFN3O+ MolecularWeight: 372.843703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+](C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+](C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H19ClFN3O/c1-13(25(2)12-15-16(21)7-3-8-17(15)22)20(26)24-19-10-4-9-18-14(19)6-5-11-23-18/h3-11,13H,12H2,1-2H3,(H,24,26)/p+1/t13-/m0/s1