3-[(4-cyano-2-fluoranyl-phenyl)methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-cyano-2-fluoranyl-phenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-2-fluoro-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(4-cyano-2-fluorophenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-2-fluorophenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-2-fluoro-benzyl)ammonio]propyl-dimethyl-ammonium Formula: C13H20FN3+2 MolecularWeight: 237.316403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C13H18FN3/c1-17(2)7-3-6-16-10-12-5-4-11(9-15)8-13(12)14/h4-5,8,16H,3,6-7,10H2,1-2H3/p+2