2-[(2-chlorophenyl)methylsulfanyl]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4-(dimethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile Formula: C15H15ClN3S+ MolecularWeight: 304.8177

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=[NH+]C=C1)SCC2=CC=CC=C2Cl)C#N

Isomeric SMILES

CN(C)C1=C(C(=[NH+]C=C1)SCC2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C15H14ClN3S/c1-19(2)14-7-8-18-15(12(14)9-17)20-10-11-5-3-4-6-13(11)16/h3-8H,10H2,1-2H3/p+1