6-[(4-fluorophenyl)methylamino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(4-fluorophenyl)methylamino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(4-fluorophenyl)methylamino]-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(4-fluorophenyl)methylamino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(4-fluorophenyl)methylamino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(4-fluorobenzyl)amino]-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C19H21FN5O2+ MolecularWeight: 370.400743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NO1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=NC(=NO1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN5O2/c1-12(2)19-24-17(25-27-19)11-23-18(26)14-5-8-16(22-10-14)21-9-13-3-6-15(20)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,21,22)(H,23,26)/p+1