(2-chloranyl-4-fluoranyl-phenyl)methyl-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: (2-chloro-4-fluoro-phenyl)methyl-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (2-chloro-4-fluorophenyl)methyl-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (2-chloro-4-fluorophenyl)methyl-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (2-chloro-4-fluoro-benzyl)-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]ammonium Formula: C15H19ClFN3+2 MolecularWeight: 295.782863

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)C[NH2+]CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)C[NH2+]CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C15H17ClFN3/c1-20(2)15-12(4-3-7-19-15)10-18-9-11-5-6-13(17)8-14(11)16/h3-8,18H,9-10H2,1-2H3/p+2