5-methyl-N-phenyl-5-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)-1,3-oxathiolan-4-imine iodide

Systemtic Name: 5-methyl-N-phenyl-5-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)-1,3-oxathiolan-4-imine iodide Openeye Name: 5-methyl-N-phenyl-5-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)-1,3-oxathiolan-4-imine iodide CAS Name: 5-methyl-N-phenyl-5-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)-1,3-oxathiolan-4-imine iodide IUPAC Name: 5-methyl-N-phenyl-5-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)-1,3-oxathiolan-4-imine iodide Traditional Name: [5-methyl-5-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)-1,3-oxathiolan-4-ylidene]-phenyl-amine iodide Formula: C14H18IN3OS MolecularWeight: 403.28169

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC2=CC=CC=C2)SCO1)C3=[NH+]CCCN3.[I-]

Isomeric SMILES

CC1(C(=NC2=CC=CC=C2)SCO1)C3=[NH+]CCCN3.[I-]

InChI

InChI=1S/C14H17N3OS.HI/c1-14(12-15-8-5-9-16-12)13(19-10-18-14)17-11-6-3-2-4-7-11;/h2-4,6-7H,5,8-10H2,1H3,(H,15,16);1H