(4-fluorophenyl)methyl-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium

Systemtic Name: (4-fluorophenyl)methyl-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium Openeye Name: (4-fluorophenyl)methyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]ammonium CAS Name: (4-fluorophenyl)methyl-[(2S)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]ammonium IUPAC Name: (4-fluorophenyl)methyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]azanium Traditional Name: (4-fluorobenzyl)-[(2S)-2-hydroxy-3-(4-propionylphenoxy)propyl]ammonium Formula: C19H23FNO3+ MolecularWeight: 332.389223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH2+]CC2=CC=C(C=C2)F)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](C[NH2+]CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C19H22FNO3/c1-2-19(23)15-5-9-18(10-6-15)24-13-17(22)12-21-11-14-3-7-16(20)8-4-14/h3-10,17,21-22H,2,11-13H2,1H3/p+1/t17-/m0/s1