1-methyl-2-(3-phenylpropylsulfanyl)pyridin-1-ium

Systemtic Name: 1-methyl-2-(3-phenylpropylsulfanyl)pyridin-1-ium Openeye Name: 1-methyl-2-(3-phenylpropylsulfanyl)pyridin-1-ium CAS Name: 1-methyl-2-(3-phenylpropylthio)pyridin-1-ium IUPAC Name: 1-methyl-2-(3-phenylpropylsulfanyl)pyridin-1-ium Traditional Name: 1-methyl-2-(3-phenylpropylthio)pyridin-1-ium Formula: C15H18NS+ MolecularWeight: 244.37512

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCCCC2=CC=CC=C2

Isomeric SMILES

C[N+]1=CC=CC=C1SCCCC2=CC=CC=C2

InChI

InChI=1S/C15H18NS/c1-16-12-6-5-11-15(16)17-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12H,7,10,13H2,1H3/q+1