[4-fluoranyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]methylazanium

Systemtic Name: [4-fluoranyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]methylazanium Openeye Name: [4-fluoro-3-(piperidin-1-ium-1-ylmethyl)phenyl]methylammonium CAS Name: [4-fluoro-3-(1-piperidin-1-iumylmethyl)phenyl]methylammonium IUPAC Name: [4-fluoro-3-(piperidin-1-ium-1-ylmethyl)phenyl]methylazanium Traditional Name: [4-fluoro-3-(piperidin-1-ium-1-ylmethyl)benzyl]ammonium Formula: C13H21FN2+2 MolecularWeight: 224.317643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC(=C2)C[NH3+])F

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC(=C2)C[NH3+])F

InChI

InChI=1S/C13H19FN2/c14-13-5-4-11(9-15)8-12(13)10-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9-10,15H2/p+2