2-[3-[(2-hydroxyphenyl)carbonylamino]propyl]tridecylsulfanium bromide

Systemtic Name: 2-[3-[(2-hydroxyphenyl)carbonylamino]propyl]tridecylsulfanium bromide Openeye Name: 2-[3-[(2-hydroxybenzoyl)amino]propyl]tridecylsulfonium bromide CAS Name: 2-[3-[[(2-hydroxyphenyl)-oxomethyl]amino]propyl]tridecylsulfonium bromide IUPAC Name: 2-[3-[(2-hydroxybenzoyl)amino]propyl]tridecylsulfanium bromide Traditional Name: 2-[3-(salicyloylamino)propyl]tridecylsulfonium bromide Formula: C23H40BrNO2S MolecularWeight: 474.5382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCNC(=O)C1=CC=CC=C1O)C[SH2+].[Br-]

Isomeric SMILES

CCCCCCCCCCCC(CCCNC(=O)C1=CC=CC=C1O)C[SH2+].[Br-]

InChI

InChI=1S/C23H39NO2S.BrH/c1-2-3-4-5-6-7-8-9-10-14-20(19-27)15-13-18-24-23(26)21-16-11-12-17-22(21)25;/h11-12,16-17,20,25,27H,2-10,13-15,18-19H2,1H3,(H,24,26);1H