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

Systemtic Name: 1-methyl-4-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridin-1-ium Openeye Name: 4-[2-(4-isopropylphenyl)sulfanylethyl]-1-methyl-pyridin-1-ium CAS Name: 1-methyl-4-[2-[(4-propan-2-ylphenyl)thio]ethyl]pyridin-1-ium IUPAC Name: 1-methyl-4-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridin-1-ium Traditional Name: 1-methyl-4-[2-(p-cumenylthio)ethyl]pyridin-1-ium Formula: C17H22NS+ MolecularWeight: 272.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCCC2=CC=[N+](C=C2)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCCC2=CC=[N+](C=C2)C

InChI

InChI=1S/C17H22NS/c1-14(2)16-4-6-17(7-5-16)19-13-10-15-8-11-18(3)12-9-15/h4-9,11-12,14H,10,13H2,1-3H3/q+1