3-[(4-fluorophenyl)methyl]-N-phenyl-1,3-diazinan-3-ium-1-carboxamide

Systemtic Name: 3-[(4-fluorophenyl)methyl]-N-phenyl-1,3-diazinan-3-ium-1-carboxamide Openeye Name: 3-[(4-fluorophenyl)methyl]-N-phenyl-hexahydropyrimidin-3-ium-1-carboxamide CAS Name: 3-[(4-fluorophenyl)methyl]-N-phenyl-1,3-diazinan-3-ium-1-carboxamide IUPAC Name: 3-[(4-fluorophenyl)methyl]-N-phenyl-1,3-diazinan-3-ium-1-carboxamide Traditional Name: 3-(4-fluorobenzyl)-N-phenyl-hexahydropyrimidin-3-ium-1-carboxamide Formula: C18H21FN3O+ MolecularWeight: 314.377243

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CN(C1)C(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CN(C1)C(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O/c19-16-9-7-15(8-10-16)13-21-11-4-12-22(14-21)18(23)20-17-5-2-1-3-6-17/h1-3,5-10H,4,11-14H2,(H,20,23)/p+1