2-(2-fluorophenyl)ethyl-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(2-fluorophenyl)ethyl-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(2-fluorophenyl)ethyl-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: 2-(2-fluorophenyl)ethyl-[[4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2-(2-fluorophenyl)ethyl-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: 2-(2-fluorophenyl)ethyl-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C23H33FN2O2+2 MolecularWeight: 388.518723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCC3=CC=CC=C3F)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCC3=CC=CC=C3F)O

InChI

InChI=1S/C23H31FN2O2/c24-23-7-3-2-6-20(23)12-13-25-16-19-8-10-22(11-9-19)28-18-21(27)17-26-14-4-1-5-15-26/h2-3,6-11,21,25,27H,1,4-5,12-18H2/p+2/t21-/m0/s1