1-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-1-ium chloride

Systemtic Name: 1-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-1-ium chloride Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride CAS Name: 1-methyl-2-[(4-propan-2-ylphenyl)methylthio]pyridin-1-ium chloride IUPAC Name: 1-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-1-ium chloride Traditional Name: 2-[(4-isopropylbenzyl)thio]-1-methyl-pyridin-1-ium chloride Formula: C16H20ClNS MolecularWeight: 293.8547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=CC=CC=[N+]2C.[Cl-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=CC=CC=[N+]2C.[Cl-]

InChI

InChI=1S/C16H20NS.ClH/c1-13(2)15-9-7-14(8-10-15)12-18-16-6-4-5-11-17(16)3;/h4-11,13H,12H2,1-3H3;1H/q+1;/p-1