N-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide

Systemtic Name: N-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide Openeye Name: N-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carboxamide CAS Name: N-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide IUPAC Name: N-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carboxamide Traditional Name: N-(4-ethylphenyl)-3-(2-fluorobenzyl)hexahydropyrimidin-3-ium-1-carboxamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H24FN3O/c1-2-16-8-10-18(11-9-16)22-20(25)24-13-5-12-23(15-24)14-17-6-3-4-7-19(17)21/h3-4,6-11H,2,5,12-15H2,1H3,(H,22,25)/p+1