2-azanyl-6-[(1-oxidanidylpyridin-1-ium-3-yl)methylsulfanyl]-4-piperidin-1-yl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(1-oxidanidylpyridin-1-ium-3-yl)methylsulfanyl]-4-piperidin-1-yl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]-4-(1-piperidyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[(1-oxido-3-pyridin-1-iumyl)methylthio]-4-(1-piperidinyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]-4-piperidin-1-ylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(1-oxidopyridin-1-ium-3-yl)methylthio]-4-piperidino-dinicotinonitrile Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC(=C2C#N)SCC3=C[N+](=CC=C3)[O-])N)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC(=C2C#N)SCC3=C[N+](=CC=C3)[O-])N)C#N

InChI

InChI=1S/C18H18N6OS/c19-9-14-16(23-6-2-1-3-7-23)15(10-20)18(22-17(14)21)26-12-13-5-4-8-24(25)11-13/h4-5,8,11H,1-3,6-7,12H2,(H2,21,22)