4,6-dimethyl-2-prop-2-enylsulfanyl-pyridin-1-ium-3-carbonitrile perchlorate

Systemtic Name: 4,6-dimethyl-2-prop-2-enylsulfanyl-pyridin-1-ium-3-carbonitrile perchlorate Openeye Name: 2-allylsulfanyl-4,6-dimethyl-pyridin-1-ium-3-carbonitrile perchlorate CAS Name: 4,6-dimethyl-2-(prop-2-enylthio)-3-pyridin-1-iumcarbonitrile perchlorate IUPAC Name: 4,6-dimethyl-2-prop-2-enylsulfanylpyridin-1-ium-3-carbonitrile perchlorate Traditional Name: 2-(allylthio)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile perchlorate Formula: C11H13ClN2O4S MolecularWeight: 304.74992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC=C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC=C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C11H12N2S.ClHO4/c1-4-5-14-11-10(7-12)8(2)6-9(3)13-11;2-1(3,4)5/h4,6H,1,5H2,2-3H3;(H,2,3,4,5)