[(2S)-3-azaniumyl-2-oxidanyl-propyl]-[(2-fluorophenyl)methyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [(2S)-3-azaniumyl-2-oxidanyl-propyl]-[(2-fluorophenyl)methyl]-(furan-2-ylmethyl)azanium Openeye Name: [(2S)-3-azaniumyl-2-hydroxy-propyl]-[(2-fluorophenyl)methyl]-(2-furylmethyl)ammonium CAS Name: [(2S)-3-ammonio-2-hydroxypropyl]-[(2-fluorophenyl)methyl]-(2-furanylmethyl)ammonium IUPAC Name: [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2-fluorophenyl)methyl]-(furan-2-ylmethyl)azanium Traditional Name: [(2S)-3-ammonio-2-hydroxy-propyl]-(2-fluorobenzyl)-(2-furfuryl)ammonium Formula: C15H21FN2O2+2 MolecularWeight: 280.337843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH+](CC2=CC=CO2)CC(C[NH3+])O)F

Isomeric SMILES

C1=CC=C(C(=C1)C[NH+](CC2=CC=CO2)C[C@H](C[NH3+])O)F

InChI

InChI=1S/C15H19FN2O2/c16-15-6-2-1-4-12(15)9-18(10-13(19)8-17)11-14-5-3-7-20-14/h1-7,13,19H,8-11,17H2/p+2/t13-/m0/s1