2-azanyl-6-(2-cyanoethylsulfanyl)-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(2-cyanoethylsulfanyl)-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-cyanoethylsulfanyl)-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(2-cyanoethylthio)-4-cyclohexylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-cyanoethylsulfanyl)-4-cyclohexylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(2-cyanoethylthio)-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C16H18N5S+ MolecularWeight: 312.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=[NH+]C(=C2C#N)SCCC#N)N)C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=[NH+]C(=C2C#N)SCCC#N)N)C#N

InChI

InChI=1S/C16H17N5S/c17-7-4-8-22-16-13(10-19)14(11-5-2-1-3-6-11)12(9-18)15(20)21-16/h11H,1-6,8H2,(H2,20,21)/p+1