(4-cyano-2-fluoranyl-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: (4-cyano-2-fluoro-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (4-cyano-2-fluorophenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (4-cyano-2-fluoro-benzyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C17H26FN3+2 MolecularWeight: 291.406843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C17H24FN3/c1-14-5-2-3-9-21(14)10-4-8-20-13-16-7-6-15(12-19)11-17(16)18/h6-7,11,14,20H,2-5,8-10,13H2,1H3/p+2/t14-/m0/s1