2-[4-(butylamino)phenyl]carbonyloxyethyl-methyl-(2-methylsulfanylethyl)azanium bromide

Systemtic Name: 2-[4-(butylamino)phenyl]carbonyloxyethyl-methyl-(2-methylsulfanylethyl)azanium bromide Openeye Name: 2-[4-(butylamino)benzoyl]oxyethyl-methyl-(2-methylsulfanylethyl)ammonium bromide CAS Name: 2-[[4-(butylamino)phenyl]-oxomethoxy]ethyl-methyl-[2-(methylthio)ethyl]ammonium bromide IUPAC Name: 2-[4-(butylamino)benzoyl]oxyethyl-methyl-(2-methylsulfanylethyl)azanium bromide Traditional Name: 2-[4-(butylamino)benzoyl]oxyethyl-methyl-[2-(methylthio)ethyl]ammonium bromide Formula: C17H29BrN2O2S MolecularWeight: 405.39336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)OCC[NH+](C)CCSC.[Br-]

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)OCC[NH+](C)CCSC.[Br-]

InChI

InChI=1S/C17H28N2O2S.BrH/c1-4-5-10-18-16-8-6-15(7-9-16)17(20)21-13-11-19(2)12-14-22-3;/h6-9,18H,4-5,10-14H2,1-3H3;1H