1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C19H22ClFN3O+ MolecularWeight: 362.848883

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H21ClFN3O/c20-17-4-1-5-18(21)16(17)13-24-9-6-15(7-10-24)19(25)23-12-14-3-2-8-22-11-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,23,25)/p+1