1-methyl-7-(3-methylbutylsulfanyl)quinolin-1-ium iodide

Systemtic Name: 1-methyl-7-(3-methylbutylsulfanyl)quinolin-1-ium iodide Openeye Name: 7-isopentylsulfanyl-1-methyl-quinolin-1-ium iodide CAS Name: 1-methyl-7-(3-methylbutylthio)quinolin-1-ium iodide IUPAC Name: 1-methyl-7-(3-methylbutylsulfanyl)quinolin-1-ium iodide Traditional Name: 7-(isoamylthio)-1-methyl-quinolin-1-ium iodide Formula: C15H20INS MolecularWeight: 373.29547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC2=C(C=CC=[N+]2C)C=C1.[I-]

Isomeric SMILES

CC(C)CCSC1=CC2=C(C=CC=[N+]2C)C=C1.[I-]

InChI

InChI=1S/C15H20NS.HI/c1-12(2)8-10-17-14-7-6-13-5-4-9-16(3)15(13)11-14;/h4-7,9,11-12H,8,10H2,1-3H3;1H/q+1;/p-1