(2-chloranyl-4-fluoranyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (2-chloro-4-fluoro-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (2-chloro-4-fluorophenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (2-chloro-4-fluorophenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (2-chloro-4-fluoro-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C12H18ClFN+ MolecularWeight: 230.729423

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=C(C=C(C=C1)F)Cl

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=C(C=C(C=C1)F)Cl

InChI

InChI=1S/C12H17ClFN/c1-3-4-9(2)15-8-10-5-6-11(14)7-12(10)13/h5-7,9,15H,3-4,8H2,1-2H3/p+1/t9-/m0/s1