(2-chloranyl-5-nitro-phenyl)methyl-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-methylazanium Traditional Name: (2-chloro-5-nitro-benzyl)-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-methyl-ammonium Formula: C17H17ClFN2O4+ MolecularWeight: 367.779283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN2O4/c1-20(7-11-6-15(21(22)23)2-3-16(11)18)8-12-4-14(19)5-13-9-24-10-25-17(12)13/h2-6H,7-10H2,1H3/p+1