(4-cyano-2-fluoranyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (4-cyano-2-fluoro-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (4-cyano-2-fluorophenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (4-cyano-2-fluoro-benzyl)-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C15H22FN3+2 MolecularWeight: 263.353683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C15H20FN3/c1-18-7-5-14(6-8-18)19(2)11-13-4-3-12(10-17)9-15(13)16/h3-4,9,14H,5-8,11H2,1-2H3/p+2