[azanyl(methylsulfanyl)methylidene]-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl]azanium iodide

Systemtic Name: [azanyl(methylsulfanyl)methylidene]-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl]azanium iodide Openeye Name: [amino(methylsulfanyl)methylene]-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl]ammonium iodide CAS Name: [amino-(methylthio)methylidene]-[2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl]ammonium iodide IUPAC Name: [amino(methylsulfanyl)methylidene]-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]azanium iodide Traditional Name: [amino-(methylthio)methylene]-[2-[p-anisyl(2-pyridyl)amino]ethyl]ammonium iodide Formula: C17H23IN4OS MolecularWeight: 458.36019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS.HI/c1-22-15-8-6-14(7-9-15)13-21(12-11-20-17(18)23-2)16-5-3-4-10-19-16;/h3-10H,11-13H2,1-2H3,(H2,18,20);1H