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

Systemtic Name: N-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide Openeye Name: N-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carboxamide CAS Name: N-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide IUPAC Name: N-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide Traditional Name: N-(4-chlorophenyl)-3-(4-fluorobenzyl)hexahydropyrimidin-3-ium-1-carboxamide Formula: C18H20ClFN3O+ MolecularWeight: 348.822303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN3O/c19-15-4-8-17(9-5-15)21-18(24)23-11-1-10-22(13-23)12-14-2-6-16(20)7-3-14/h2-9H,1,10-13H2,(H,21,24)/p+1