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

Systemtic Name: 1-phenethyl-2-phenethylsulfanyl-pyridin-1-ium Openeye Name: 1-phenethyl-2-phenethylsulfanyl-pyridin-1-ium CAS Name: 1-phenethyl-2-(phenethylthio)pyridin-1-ium IUPAC Name: 1-phenethyl-2-phenethylsulfanylpyridin-1-ium Traditional Name: 1-phenethyl-2-(phenethylthio)pyridin-1-ium Formula: C21H22NS+ MolecularWeight: 320.47108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NS/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/q+1