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

Systemtic Name: 2-[(4-fluorophenyl)methylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylamino]-N-(2-thienylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 2-[(4-fluorophenyl)methylamino]-N-(thiophen-2-ylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-[(4-fluorobenzyl)amino]-N-(2-thenyl)pyridin-1-ium-3-carboxamide Formula: C18H17FN3OS+ MolecularWeight: 342.410483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NCC2=CC=C(C=C2)F)C(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC(=C([NH+]=C1)NCC2=CC=C(C=C2)F)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H16FN3OS/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/h1-10H,11-12H2,(H,20,21)(H,22,23)/p+1