2-chloranyl-4-fluoranyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 2-chloro-4-fluoro-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide CAS Name: 2-chloro-4-fluoro-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 2-chloro-4-fluoro-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 2-chloro-4-fluoro-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide Formula: C18H20ClFN3O+ MolecularWeight: 348.822303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H19ClFN3O/c19-17-10-13(20)6-7-16(17)18(24)22-15-5-3-9-23(12-15)11-14-4-1-2-8-21-14/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,22,24)/p+1/t15-/m0/s1