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

Systemtic Name: 3-[(4-aminocarbonyl-2-fluoranyl-phenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(4-carbamoyl-2-fluoro-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(4-carbamoyl-2-fluorophenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(4-carbamoyl-2-fluorophenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(4-carbamoyl-2-fluoro-benzyl)ammonio]propyl-dimethyl-ammonium Formula: C13H22FN3O+2 MolecularWeight: 255.331683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20FN3O/c1-17(2)7-3-6-16-9-11-5-4-10(13(15)18)8-12(11)14/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,18)/p+2