[2,6-bis(fluoranyl)phenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [2,6-bis(fluoranyl)phenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: (2,6-difluorophenyl)methyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: (2,6-difluorophenyl)methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: (2,6-difluorophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: (2,6-difluorobenzyl)-[(1S)-1,4-dimethylpentyl]ammonium Formula: C14H22F2N+ MolecularWeight: 242.327986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]CC1=C(C=CC=C1F)F

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+]CC1=C(C=CC=C1F)F

InChI

InChI=1S/C14H21F2N/c1-10(2)7-8-11(3)17-9-12-13(15)5-4-6-14(12)16/h4-6,10-11,17H,7-9H2,1-3H3/p+1/t11-/m0/s1