2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]sulfanylethyl-dimethyl-prop-2-enyl-azanium

Systemtic Name: 2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]sulfanylethyl-dimethyl-prop-2-enyl-azanium Openeye Name: allyl-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]sulfanylethyl]-dimethyl-ammonium CAS Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridin-1-iumyl]thio]ethyl-dimethyl-prop-2-enylammonium IUPAC Name: 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-1-ium-2-yl]sulfanylethyl-dimethyl-prop-2-enylazanium Traditional Name: allyl-[2-[[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]thio]ethyl]-dimethyl-ammonium Formula: C16H25N3OS+2 MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC=C

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC=C

InChI

InChI=1S/C16H24N3OS/c1-6-7-19(3,4)8-9-21-16-15(11-17)14(12-20-5)10-13(2)18-16/h6,10H,1,7-9,12H2,2-5H3/q+1/p+1