4-[(Z)-2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]morpholine iodide

Systemtic Name: 4-[(Z)-2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]morpholine iodide Openeye Name: 4-[(Z)-2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]morpholine iodide CAS Name: 4-[(Z)-2-(1,6-dimethyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]morpholine iodide IUPAC Name: 4-[(Z)-2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]morpholine iodide Traditional Name: 4-[(Z)-2-(1,6-dimethylquinolin-1-ium-2-yl)-1-(methylthio)vinyl]morpholine iodide Formula: C18H23IN2OS MolecularWeight: 442.35749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C=C2)C=C(N3CCOCC3)SC)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C(/N3CCOCC3)\SC)C.[I-]

InChI

InChI=1S/C18H23N2OS.HI/c1-14-4-7-17-15(12-14)5-6-16(19(17)2)13-18(22-3)20-8-10-21-11-9-20;/h4-7,12-13H,8-11H2,1-3H3;1H/q+1;/p-1