4-methyl-1-[2-(phenylmethylsulfanyl)prop-2-enyl]pyridin-1-ium

Systemtic Name: 4-methyl-1-[2-(phenylmethylsulfanyl)prop-2-enyl]pyridin-1-ium Openeye Name: 1-(2-benzylsulfanylallyl)-4-methyl-pyridin-1-ium CAS Name: 4-methyl-1-[2-(phenylmethylthio)prop-2-enyl]pyridin-1-ium IUPAC Name: 1-(2-benzylsulfanylprop-2-enyl)-4-methylpyridin-1-ium Traditional Name: 1-[2-(benzylthio)allyl]-4-methyl-pyridin-1-ium Formula: C16H18NS+ MolecularWeight: 256.38582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=C)SCC2=CC=CC=C2

InChI

InChI=1S/C16H18NS/c1-14-8-10-17(11-9-14)12-15(2)18-13-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3/q+1