6-[(4-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(4-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(4-fluorophenyl)methylamino]-N-(p-tolylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 6-[(4-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(4-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(4-fluorobenzyl)amino]-N-(4-methylbenzyl)pyridin-1-ium-3-carboxamide Formula: C21H21FN3O+ MolecularWeight: 350.409343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O/c1-15-2-4-16(5-3-15)13-25-21(26)18-8-11-20(24-14-18)23-12-17-6-9-19(22)10-7-17/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26)/p+1