2-[2-(3,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(3,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(3,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[[2-(3,5-dimethylphenyl)-2-oxoethyl]thio]-4-(methoxymethyl)-6-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(3,5-dimethylphenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-(3,5-dimethylphenyl)-2-keto-ethyl]thio]-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C19H21N2O2S+ MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)CSC2=C(C(=CC(=[NH+]2)C)COC)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)CSC2=C(C(=CC(=[NH+]2)C)COC)C#N)C

InChI

InChI=1S/C19H20N2O2S/c1-12-5-13(2)7-15(6-12)18(22)11-24-19-17(9-20)16(10-23-4)8-14(3)21-19/h5-8H,10-11H2,1-4H3/p+1