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

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(2-chloranyl-6-fluoranyl-phenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(2-chloro-6-fluoro-phenyl)methyl]-[(1S)-1-methylpropyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]azanium Traditional Name: 2-ammonioethyl-(2-chloro-6-fluoro-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C13H22ClFN2+2 MolecularWeight: 260.778583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CC[NH3+])CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC[C@H](C)[NH+](CC[NH3+])CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H20ClFN2/c1-3-10(2)17(8-7-16)9-11-12(14)5-4-6-13(11)15/h4-6,10H,3,7-9,16H2,1-2H3/p+2/t10-/m0/s1