(2-chloranyl-4-fluoranyl-phenyl)methyl-[(2S)-3-methylbutan-2-yl]azanium

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl-[(2S)-3-methylbutan-2-yl]azanium Openeye Name: (2-chloro-4-fluoro-phenyl)methyl-[(1S)-1,2-dimethylpropyl]ammonium CAS Name: (2-chloro-4-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]ammonium IUPAC Name: (2-chloro-4-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]azanium Traditional Name: (2-chloro-4-fluoro-benzyl)-[(1S)-1,2-dimethylpropyl]ammonium Formula: C12H18ClFN+ MolecularWeight: 230.729423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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