(2-chloranyl-5-nitro-phenyl)methyl-[(2R)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[(2R)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: (2-chloro-5-nitro-benzyl)-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C17H19ClFN2O4+ MolecularWeight: 369.795163

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(COC2=CC=C(C=C2)F)O

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C[C@H](COC2=CC=C(C=C2)F)O

InChI

InChI=1S/C17H18ClFN2O4/c1-20(9-12-8-14(21(23)24)4-7-17(12)18)10-15(22)11-25-16-5-2-13(19)3-6-16/h2-8,15,22H,9-11H2,1H3/p+1/t15-/m1/s1