1-phenethyl-2-phenethylsulfanyl-pyridin-1-ium bromide

Systemtic Name: 1-phenethyl-2-phenethylsulfanyl-pyridin-1-ium bromide Openeye Name: 1-phenethyl-2-phenethylsulfanyl-pyridin-1-ium bromide CAS Name: 1-phenethyl-2-(phenethylthio)pyridin-1-ium bromide IUPAC Name: 1-phenethyl-2-phenethylsulfanylpyridin-1-ium bromide Traditional Name: 1-phenethyl-2-(phenethylthio)pyridin-1-ium bromide Formula: C21H22BrNS MolecularWeight: 400.37508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=CC=CC=C2SCCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=CC=CC=C2SCCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H22NS.BrH/c1-3-9-19(10-4-1)14-17-22-16-8-7-13-21(22)23-18-15-20-11-5-2-6-12-20;/h1-13,16H,14-15,17-18H2;1H/q+1;/p-1