(E)-N-(2-methoxyethyl)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenamine iodide

Systemtic Name: (E)-N-(2-methoxyethyl)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenamine iodide Openeye Name: (E)-N-(2-methoxyethyl)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenamine iodide CAS Name: (E)-N-(2-methoxyethyl)-2-(1-methyl-2-quinolin-1-iumyl)-1-(methylthio)ethenamine iodide IUPAC Name: (E)-N-(2-methoxyethyl)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenamine iodide Traditional Name: 2-methoxyethyl-[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-(methylthio)vinyl]amine iodide Formula: C16H21IN2OS MolecularWeight: 416.32021

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C(NCCOC)SC.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C(\NCCOC)/SC.[I-]

InChI

InChI=1S/C16H20N2OS.HI/c1-18-14(12-16(20-3)17-10-11-19-2)9-8-13-6-4-5-7-15(13)18;/h4-9,12H,10-11H2,1-3H3;1H