[azanyl(methylsulfanyl)methylidene]-[3-(4-methoxyphenyl)-3-pyridin-2-yl-propyl]azanium iodide

Systemtic Name: [azanyl(methylsulfanyl)methylidene]-[3-(4-methoxyphenyl)-3-pyridin-2-yl-propyl]azanium iodide Openeye Name: [amino(methylsulfanyl)methylene]-[3-(4-methoxyphenyl)-3-(2-pyridyl)propyl]ammonium iodide CAS Name: [amino-(methylthio)methylidene]-[3-(4-methoxyphenyl)-3-(2-pyridinyl)propyl]ammonium iodide IUPAC Name: [amino(methylsulfanyl)methylidene]-[3-(4-methoxyphenyl)-3-pyridin-2-ylpropyl]azanium iodide Traditional Name: [amino-(methylthio)methylene]-[3-(4-methoxyphenyl)-3-(2-pyridyl)propyl]ammonium iodide Formula: C17H22IN3OS MolecularWeight: 443.34555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC[NH+]=C(N)SC)C2=CC=CC=N2.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)C(CC[NH+]=C(N)SC)C2=CC=CC=N2.[I-]

InChI

InChI=1S/C17H21N3OS.HI/c1-21-14-8-6-13(7-9-14)15(10-12-20-17(18)22-2)16-5-3-4-11-19-16;/h3-9,11,15H,10,12H2,1-2H3,(H2,18,20);1H