(2-chloranyl-6-fluoranyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C12H18ClFN+ MolecularWeight: 230.729423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H17ClFN/c1-3-5-9(2)15-8-10-11(13)6-4-7-12(10)14/h4,6-7,9,15H,3,5,8H2,1-2H3/p+1/t9-/m0/s1