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

Systemtic Name: N-(4-ethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide Openeye Name: N-(4-ethylphenyl)-3-[(4-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carboxamide CAS Name: N-(4-ethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide IUPAC Name: N-(4-ethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide Traditional Name: N-(4-ethylphenyl)-3-(4-fluorobenzyl)hexahydropyrimidin-3-ium-1-carboxamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O/c1-2-16-6-10-19(11-7-16)22-20(25)24-13-3-12-23(15-24)14-17-4-8-18(21)9-5-17/h4-11H,2-3,12-15H2,1H3,(H,22,25)/p+1