2-azaniumylethyl-[(2S)-butan-2-yl]-[(2-fluorophenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(2-fluorophenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(2-fluorophenyl)methyl]-[(1S)-1-methylpropyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-[(2-fluorophenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(2-fluorophenyl)methyl]azanium Traditional Name: 2-ammonioethyl-(2-fluorobenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C13H23FN2+2 MolecularWeight: 226.333523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CC[NH3+])CC1=CC=CC=C1F

Isomeric SMILES

CC[C@H](C)[NH+](CC[NH3+])CC1=CC=CC=C1F

InChI

InChI=1S/C13H21FN2/c1-3-11(2)16(9-8-15)10-12-6-4-5-7-13(12)14/h4-7,11H,3,8-10,15H2,1-2H3/p+2/t11-/m0/s1