2-azanyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[2-(4-morpholin-4-iumyl)ethylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(2-morpholin-4-ium-4-ylethylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C13H17N5OS+2 MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C1COCC[NH+]1CCSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C13H15N5OS/c14-8-10-7-11(9-15)13(17-12(10)16)20-6-3-18-1-4-19-5-2-18/h7H,1-6H2,(H2,16,17)/p+2