2-[(4-fluorophenyl)methylamino]-N-phenethyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylamino]-N-phenethyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylamino]-N-phenethyl-pyridin-1-ium-3-carboxamide CAS Name: 2-[(4-fluorophenyl)methylamino]-N-phenethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylamino]-N-phenethylpyridin-1-ium-3-carboxamide Traditional Name: 2-[(4-fluorobenzyl)amino]-N-phenethyl-pyridin-1-ium-3-carboxamide Formula: C21H21FN3O+ MolecularWeight: 350.409343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C([NH+]=CC=C2)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C([NH+]=CC=C2)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O/c22-18-10-8-17(9-11-18)15-25-20-19(7-4-13-23-20)21(26)24-14-12-16-5-2-1-3-6-16/h1-11,13H,12,14-15H2,(H,23,25)(H,24,26)/p+1