(2-chloranyl-5-nitro-phenyl)methyl-[(5-cyano-2-fluoranyl-phenyl)methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[(5-cyano-2-fluoranyl-phenyl)methyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[(5-cyano-2-fluoro-phenyl)methyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[(5-cyano-2-fluorophenyl)methyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[(5-cyano-2-fluorophenyl)methyl]-methylazanium Traditional Name: (2-chloro-5-nitro-benzyl)-(5-cyano-2-fluoro-benzyl)-methyl-ammonium Formula: C16H14ClFN3O2+ MolecularWeight: 334.752663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClFN3O2/c1-20(10-13-6-11(8-19)2-5-16(13)18)9-12-7-14(21(22)23)3-4-15(12)17/h2-7H,9-10H2,1H3/p+1