2-ethylsulfanyl-6-methoxy-1-(phenylmethyl)quinolin-1-ium iodide

Systemtic Name: 2-ethylsulfanyl-6-methoxy-1-(phenylmethyl)quinolin-1-ium iodide Openeye Name: 1-benzyl-2-ethylsulfanyl-6-methoxy-quinolin-1-ium iodide CAS Name: 2-(ethylthio)-6-methoxy-1-(phenylmethyl)quinolin-1-ium iodide IUPAC Name: 1-benzyl-2-ethylsulfanyl-6-methoxyquinolin-1-ium iodide Traditional Name: 1-benzyl-2-(ethylthio)-6-methoxy-quinolin-1-ium iodide Formula: C19H20INOS MolecularWeight: 437.33767

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[N+](C2=C(C=C1)C=C(C=C2)OC)CC3=CC=CC=C3.[I-]

Isomeric SMILES

CCSC1=[N+](C2=C(C=C1)C=C(C=C2)OC)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H20NOS.HI/c1-3-22-19-12-9-16-13-17(21-2)10-11-18(16)20(19)14-15-7-5-4-6-8-15;/h4-13H,3,14H2,1-2H3;1H/q+1;/p-1