[4-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-3-fluoranyl-phenyl]methylazanium

Systemtic Name: [4-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-3-fluoranyl-phenyl]methylazanium Openeye Name: [4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-3-fluoro-phenyl]methylammonium CAS Name: [4-[[(3S)-3-carbamoyl-1-piperidin-1-iumyl]methyl]-3-fluorophenyl]methylammonium IUPAC Name: [4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-3-fluorophenyl]methylazanium Traditional Name: [4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-3-fluoro-benzyl]ammonium Formula: C14H22FN3O+2 MolecularWeight: 267.342383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=C(C=C2)C[NH3+])F)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=C(C=C2)C[NH3+])F)C(=O)N

InChI

InChI=1S/C14H20FN3O/c15-13-6-10(7-16)3-4-11(13)8-18-5-1-2-12(9-18)14(17)19/h3-4,6,12H,1-2,5,7-9,16H2,(H2,17,19)/p+2/t12-/m0/s1