3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]amino]propan-1-ol iodide

Systemtic Name: 3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]amino]propan-1-ol iodide Openeye Name: 3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]amino]propan-1-ol iodide CAS Name: 3-[[(E)-2-(1-methyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]amino]-1-propanol iodide IUPAC Name: 3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide Traditional Name: 3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-(methylthio)vinyl]amino]propan-1-ol 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(NCCCO)SC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2OS.HI/c1-18-14(12-16(20-2)17-10-5-11-19)9-8-13-6-3-4-7-15(13)18;/h3-4,6-9,12,19H,5,10-11H2,1-2H3;1H