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hexadecyl-[(2-methoxyphenyl)-methylsulfanyl-methylidene]-methyl-azanium iodide

hexadecyl-[(2-methoxyphenyl)-methylsulfanyl-methylidene]-methyl-azanium iodide

Systemtic Name:hexadecyl-[(2-methoxyphenyl)-methylsulfanyl-methylidene]-methyl-azanium iodide
Openeye Name:hexadecyl-[(2-methoxyphenyl)-methylsulfanyl-methylene]-methyl-ammonium iodide
CAS Name:hexadecyl-[(2-methoxyphenyl)-(methylthio)methylidene]-methylammonium iodide
IUPAC Name:hexadecyl-[(2-methoxyphenyl)-methylsulfanylmethylidene]-methylazanium iodide
Traditional Name:cetyl-[(2-methoxyphenyl)-(methylthio)methylene]-methyl-ammonium iodide
Formula: C26H46INOS
MolecularWeight: 547.61901
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](=C(C1=CC=CC=C1OC)SC)C.[I-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](=C(C1=CC=CC=C1OC)SC)C.[I-]


InChI

InChI=1S/C26H46NOS.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27(2)26(29-4)24-21-18-19-22-25(24)28-3;/h18-19,21-22H,5-17,20,23H2,1-4H3;1H/q+1;/p-1


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