[1-[(3-methylsulfanylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dichloride

Systemtic Name: [1-[(3-methylsulfanylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dichloride Openeye Name: [1-[(3-methylsulfanylpyridin-1-ium-1-yl)methoxymethyl]-4-pyridylidene]methyl-oxo-ammonium dichloride CAS Name: [1-[[3-(methylthio)-1-pyridin-1-iumyl]methoxymethyl]-4-pyridinylidene]methyl-oxoammonium dichloride IUPAC Name: [1-[(3-methylsulfanylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxoazanium dichloride Traditional Name: keto-[[1-[[3-(methylthio)pyridin-1-ium-1-yl]methoxymethyl]-4-pyridylidene]methyl]ammonium dichloride Formula: C14H17Cl2N3O2S MolecularWeight: 362.27468

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C[N+](=CC=C1)COCN2C=CC(=C[NH+]=O)C=C2.[Cl-].[Cl-]

Isomeric SMILES

CSC1=C[N+](=CC=C1)COCN2C=CC(=C[NH+]=O)C=C2.[Cl-].[Cl-]

InChI

InChI=1S/C14H16N3O2S.2ClH/c1-20-14-3-2-6-17(10-14)12-19-11-16-7-4-13(5-8-16)9-15-18;;/h2-10H,11-12H2,1H3;2*1H/q+1;;/p-1