2,2-diethoxy-N-[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]ethanamine iodide

Systemtic Name: 2,2-diethoxy-N-[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]ethanamine iodide Openeye Name: 2,2-diethoxy-N-[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]ethanamine iodide CAS Name: 2,2-diethoxy-N-[(Z)-2-(1-methyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]ethanamine iodide IUPAC Name: 2,2-diethoxy-N-[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]ethanamine iodide Traditional Name: 2,2-diethoxyethyl-[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-(methylthio)vinyl]amine iodide Formula: C19H27IN2O2S MolecularWeight: 474.39935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=CC1=[N+](C2=CC=CC=C2C=C1)C)SC)OCC.[I-]

Isomeric SMILES

CCOC(CN/C(=C/C1=[N+](C2=CC=CC=C2C=C1)C)/SC)OCC.[I-]

InChI

InChI=1S/C19H26N2O2S.HI/c1-5-22-19(23-6-2)14-20-18(24-4)13-16-12-11-15-9-7-8-10-17(15)21(16)3;/h7-13,19H,5-6,14H2,1-4H3;1H