2-[[(3S)-1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-[(4-chloro-3-fluoro-phenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]-3-piperidin-1-iumyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-1-ium-3-yl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-(4-chloro-3-fluoro-benzyl)piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C17H29ClFN3+2 MolecularWeight: 329.883663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C1CCC[NH+](C1)CC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

C[NH+](C)CCN(C)[C@H]1CCC[NH+](C1)CC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C17H27ClFN3/c1-20(2)9-10-21(3)15-5-4-8-22(13-15)12-14-6-7-16(18)17(19)11-14/h6-7,11,15H,4-5,8-10,12-13H2,1-3H3/p+2/t15-/m0/s1