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

Systemtic Name: hexadecyl-[(2-methoxyphenyl)-methylsulfanyl-methylidene]-methyl-azanium Openeye Name: hexadecyl-[(2-methoxyphenyl)-methylsulfanyl-methylene]-methyl-ammonium CAS Name: hexadecyl-[(2-methoxyphenyl)-(methylthio)methylidene]-methylammonium IUPAC Name: hexadecyl-[(2-methoxyphenyl)-methylsulfanylmethylidene]-methylazanium Traditional Name: cetyl-[(2-methoxyphenyl)-(methylthio)methylene]-methyl-ammonium Formula: C26H46NOS+ MolecularWeight: 420.71454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46NOS/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/q+1