2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C16H14ClN2O2S+ MolecularWeight: 333.81256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC2=CC3=C(C=C2Cl)OCO3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC2=CC3=C(C=C2Cl)OCO3)C

InChI

InChI=1S/C16H13ClN2O2S/c1-9-3-10(2)19-16(12(9)6-18)22-7-11-4-14-15(5-13(11)17)21-8-20-14/h3-5H,7-8H2,1-2H3/p+1