4-(methoxymethyl)-6-methyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-2-(phenylmethylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(methoxymethyl)-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(benzylthio)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C16H17N2OS+ MolecularWeight: 285.38398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2OS/c1-12-8-14(10-19-2)15(9-17)16(18-12)20-11-13-6-4-3-5-7-13/h3-8H,10-11H2,1-2H3/p+1