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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[(1S)-1,5-dimethylhexyl]ammonium Formula: C15H24ClFN+ MolecularWeight: 272.809163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClFN/c1-11(2)6-4-7-12(3)18-10-13-14(16)8-5-9-15(13)17/h5,8-9,11-12,18H,4,6-7,10H2,1-3H3/p+1/t12-/m0/s1