ethyl-[(3-fluorophenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: ethyl-[(3-fluorophenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: ethyl-[(3-fluorophenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: ethyl-[(3-fluorophenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: ethyl-[(3-fluorophenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: ethyl-(3-fluorobenzyl)-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C18H20FN2O4+ MolecularWeight: 347.360803

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=CC=C1)F)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC[NH+](CC1=CC(=CC=C1)F)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H19FN2O4/c1-2-20(9-13-4-3-5-16(19)6-13)10-14-7-17(21(22)23)8-15-11-24-12-25-18(14)15/h3-8H,2,9-12H2,1H3/p+1