3-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: 3-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: 3-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: 3-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: 3-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(4-fluorobenzyl)-N-(3-methoxyphenyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C19H23FN3OS+ MolecularWeight: 360.468823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3OS/c1-24-18-5-2-4-17(12-18)21-19(25)23-11-3-10-22(14-23)13-15-6-8-16(20)9-7-15/h2,4-9,12H,3,10-11,13-14H2,1H3,(H,21,25)/p+1