diethyl-(phenylmethyl)-[2-[(E)-3-phenylprop-2-enoyl]sulfanylethyl]azanium bromide

Systemtic Name: diethyl-(phenylmethyl)-[2-[(E)-3-phenylprop-2-enoyl]sulfanylethyl]azanium bromide Openeye Name: benzyl-diethyl-[2-[(E)-3-phenylprop-2-enoyl]sulfanylethyl]ammonium bromide CAS Name: diethyl-[2-[[(E)-1-oxo-3-phenylprop-2-enyl]thio]ethyl]-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-diethyl-[2-[(E)-3-phenylprop-2-enoyl]sulfanylethyl]azanium bromide Traditional Name: benzyl-diethyl-[2-[[(E)-3-phenylacryloyl]thio]ethyl]ammonium bromide Formula: C22H28BrNOS MolecularWeight: 434.43282

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCSC(=O)C=CC1=CC=CC=C1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC[N+](CC)(CCSC(=O)/C=C/C1=CC=CC=C1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C22H28NOS.BrH/c1-3-23(4-2,19-21-13-9-6-10-14-21)17-18-25-22(24)16-15-20-11-7-5-8-12-20;/h5-16H,3-4,17-19H2,1-2H3;1H/q+1;/p-1/b16-15+;