2-[(4-fluorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylamino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 2-[(4-fluorophenyl)methylamino]-N-[[(2S)-2-oxolanyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: 2-[(4-fluorobenzyl)amino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C18H21FN3O2+ MolecularWeight: 330.376643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C([NH+]=CC=C2)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1C[C@H](OC1)CNC(=O)C2=C([NH+]=CC=C2)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O2/c19-14-7-5-13(6-8-14)11-21-17-16(4-1-9-20-17)18(23)22-12-15-3-2-10-24-15/h1,4-9,15H,2-3,10-12H2,(H,20,21)(H,22,23)/p+1/t15-/m0/s1