1-methyl-2-(4-phenylbutylsulfanyl)pyridin-1-ium

Systemtic Name: 1-methyl-2-(4-phenylbutylsulfanyl)pyridin-1-ium Openeye Name: 1-methyl-2-(4-phenylbutylsulfanyl)pyridin-1-ium CAS Name: 1-methyl-2-(4-phenylbutylthio)pyridin-1-ium IUPAC Name: 1-methyl-2-(4-phenylbutylsulfanyl)pyridin-1-ium Traditional Name: 1-methyl-2-(4-phenylbutylthio)pyridin-1-ium Formula: C16H20NS+ MolecularWeight: 258.4017

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCCCCC2=CC=CC=C2

Isomeric SMILES

C[N+]1=CC=CC=C1SCCCCC2=CC=CC=C2

InChI

InChI=1S/C16H20NS/c1-17-13-7-5-12-16(17)18-14-8-6-11-15-9-3-2-4-10-15/h2-5,7,9-10,12-13H,6,8,11,14H2,1H3/q+1