3-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: 3-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: 3-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: 3-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: 3-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(2-fluorobenzyl)-N-(4-methoxyphenyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C19H23FN3OS+ MolecularWeight: 360.468823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

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