(3-fluorophenyl)methyl-methyl-[(2S)-3-(methylazaniumyl)-2-oxidanyl-propyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[(2S)-3-(methylazaniumyl)-2-oxidanyl-propyl]azanium Openeye Name: (3-fluorophenyl)methyl-[(2S)-2-hydroxy-3-(methylammonio)propyl]-methyl-ammonium CAS Name: (3-fluorophenyl)methyl-[(2S)-2-hydroxy-3-(methylammonio)propyl]-methylammonium IUPAC Name: (3-fluorophenyl)methyl-[(2S)-2-hydroxy-3-(methylazaniumyl)propyl]-methylazanium Traditional Name: (3-fluorobenzyl)-[(2S)-2-hydroxy-3-(methylammonio)propyl]-methyl-ammonium Formula: C12H21FN2O+2 MolecularWeight: 228.306343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH2+]C[C@@H](C[NH+](C)CC1=CC(=CC=C1)F)O

InChI

InChI=1S/C12H19FN2O/c1-14-7-12(16)9-15(2)8-10-4-3-5-11(13)6-10/h3-6,12,14,16H,7-9H2,1-2H3/p+2/t12-/m0/s1