(3S)-1-[2-[(5-chloranyl-3-fluoranyl-pyridin-2-yl)amino]ethyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[2-[(5-chloranyl-3-fluoranyl-pyridin-2-yl)amino]ethyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[2-[(5-chloro-3-fluoro-2-pyridyl)amino]ethyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[2-[(5-chloro-3-fluoropyridin-2-yl)amino]ethyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[2-[(5-chloro-3-fluoro-2-pyridyl)amino]ethyl]piperidin-1-ium-3-ol Formula: C12H18ClFN3O+ MolecularWeight: 274.742223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCNC2=NC=C(C=C2F)Cl)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCNC2=NC=C(C=C2F)Cl)O

InChI

InChI=1S/C12H17ClFN3O/c13-9-6-11(14)12(16-7-9)15-3-5-17-4-1-2-10(18)8-17/h6-7,10,18H,1-5,8H2,(H,15,16)/p+1/t10-/m0/s1