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

Systemtic Name: N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide Openeye Name: N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide Traditional Name: 3-(4-fluorobenzyl)-N-p-phenetyl-hexahydropyrimidin-3-ium-1-carboxamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O2/c1-2-26-19-10-8-18(9-11-19)22-20(25)24-13-3-12-23(15-24)14-16-4-6-17(21)7-5-16/h4-11H,2-3,12-15H2,1H3,(H,22,25)/p+1