2-[(3,4-dimethylphenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride

Systemtic Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride Openeye Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride CAS Name: 2-[(3,4-dimethylphenyl)methylthio]-1-methylpyridin-1-ium chloride IUPAC Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-1-methylpyridin-1-ium chloride Traditional Name: 2-[(3,4-dimethylbenzyl)thio]-1-methyl-pyridin-1-ium chloride Formula: C15H18ClNS MolecularWeight: 279.82812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=CC=CC=[N+]2C)C.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=CC=CC=[N+]2C)C.[Cl-]

InChI

InChI=1S/C15H18NS.ClH/c1-12-7-8-14(10-13(12)2)11-17-15-6-4-5-9-16(15)3;/h4-10H,11H2,1-3H3;1H/q+1;/p-1