2-methylsulfanyl-1-(phenylmethyl)quinolin-1-ium iodide

Systemtic Name: 2-methylsulfanyl-1-(phenylmethyl)quinolin-1-ium iodide Openeye Name: 1-benzyl-2-methylsulfanyl-quinolin-1-ium iodide CAS Name: 2-(methylthio)-1-(phenylmethyl)quinolin-1-ium iodide IUPAC Name: 1-benzyl-2-methylsulfanylquinolin-1-ium iodide Traditional Name: 1-benzyl-2-(methylthio)quinolin-1-ium iodide Formula: C17H16INS MolecularWeight: 393.28511

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C2=CC=CC=C2C=C1)CC3=CC=CC=C3.[I-]

Isomeric SMILES

CSC1=[N+](C2=CC=CC=C2C=C1)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H16NS.HI/c1-19-17-12-11-15-9-5-6-10-16(15)18(17)13-14-7-3-2-4-8-14;/h2-12H,13H2,1H3;1H/q+1;/p-1