hexadecyl-dimethyl-(2-phenylsulfanylethyl)azanium

Systemtic Name: hexadecyl-dimethyl-(2-phenylsulfanylethyl)azanium Openeye Name: hexadecyl-dimethyl-(2-phenylsulfanylethyl)ammonium CAS Name: hexadecyl-dimethyl-[2-(phenylthio)ethyl]ammonium IUPAC Name: hexadecyl-dimethyl-(2-phenylsulfanylethyl)azanium Traditional Name: cetyl-dimethyl-[2-(phenylthio)ethyl]ammonium Formula: C26H48NS+ MolecularWeight: 406.73102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCSC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCSC1=CC=CC=C1

InChI

InChI=1S/C26H48NS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(2,3)24-25-28-26-21-18-17-19-22-26/h17-19,21-22H,4-16,20,23-25H2,1-3H3/q+1